Publications

publications

  • 205.

    S. Bhandari, M. S. Cheung, E. Geva, L. Kronik, and B. D. Dunietz, “Fundamental Gaps of Condensed-Phase Organic Semiconductors from Single-Molecule Calculations using Polarization-Consistent Optimally Tuned Screened Range-Separated Hybrid Functionals”, J. Chem. Theo. Comput., in press (2018).

  • 204.

    B. Xu, A. Hirsch, L. Kronik, and K. Poduska, “Vibrational Properties of Isotopically Enriched Materials: The Case of Calcite”, RSC Adv. 8, 33985 (2018).

  • 203.

    B. Shi, S. Weissman, F. Bruneval, L. Kronik, and Serdar Öğüt, “Photoelectron Spectra of Copper Oxide Cluster Anions from First Principles Methods”, J. Chem. Phys. 149, 064306 (2018).

  • 202.

    D. Manna, J. Blumberger, J. M. L. Martin, and L. Kronik, “Prediction of electronic couplings for molecular charge transfer using optimally-tuned range-separated hybrid functionals”, Mol. Phys. (Special Issue in honor of Dr. Michael Baer) 116, 2497 (2018).

  • 201.

    R. Baer and L. Kronik, “Time-Dependent Generalized Kohn-Sham Theory”, Eur. Phys. J. B (Special Issue in Honor of Prof. Hardy Gross) 91, 170 (2018).

  • 200.

    K. Banerjee-Ghosh, O. Ben Dor, F. Tassinari, E. Capua, S. Yochelis, A. Capua, S.-H. Yang, S. S. P. Parkin, S. Sarkar, L. Kronik, L. T. Baczewski, R. Naaman, and Y. Paltiel, “Separation of enantiomers by their enantiospecific interaction with achiral magnetic substrates”, Science 360, 1331 (2018)Highlighted by Chemical & Engineering News and Physics Today

  • 199.

    A. K. Manna, S. Refaely-Abramson, A. M. Reilly, A. Tkatchenko, J. B. Neaton, and L. Kronik, “Quantitative prediction of optical absorption in molecular solids from an optimally-tuned screened range-separated hybrid functional”, J. Chem. Theo. Comp. 14, 2919 (2018).

  • 198.

    T. Gould, L. Kronik, and S. Pittalis, “Charge transfer excitations from exact and approximate ensemble Kohn-Sham theory”, J. Chem. Phys. 148, 174101 (2018).

  • 197.

    I. V. Kabakova, I. Azuri, Z. Chen, P. K. Nayak, H. J. Snaith, L. Kronik, C. Paterson, A. A. Bakulin, and D. A. Egger, “The Effect of Ionic Composition on Acoustic Phonon Speeds in Hybrid Perovskites from Brillouin Spectroscopy and Density Functional Theory”, J. Mater. Chem. C 6, 3861 (2018).

  • 196.

    S. Sarkar, J. Yang, L. Z. Tan, A. M. Rappe, and L. Kronik, "Molecule-Adsorbed Topological Insulator and Metal Surfaces: a Comparative First Principles Study", Chem. Mater. 30, 1849 (2018).

  • 195.

    B. A. Palmer, A. Hirsch, V. Brumfeld, E. D. Aflalo, I. Pinkas, A. Sagi, S. Rozenne, D. Oron, L. Leiserowitz, L. Kronik, S. Weiner and L. Addadi, “Optically functional isoxanthopterin crystals in the mirrored eyes of decapod crustaceans”, PNAS 115, 2299 (2018).

  • 194.

    L. Kronik and S. Kümmel, “Dielectric screening meets optimally-tuned density functionals”, Adv. Materials (Special issue on Materials Research in Israel) 30, 1706560 (2018).

  • 193.

    C. Guo, S. Sarkar, S. Refaely-Abramson, D. A. Egger, T. Bendikov, K. Yonezawa,Y. Suda, T. Yamaguchi, I. Pecht, S. Kera, N. Ueno, M. Sheves, L. Kronik, D. Cahen, “Electronic structure of dipeptides in the gas-phase and as an adsorbed monolayer”, Phys. Chem. Chem. Phys. 20, 6860 (2018).

  • 192.

    D. A. Egger, A. Bera, D. Cahen, G. Hodes, T. Kirchartz, L. Kronik, R. Lovrincic, A. M. Rappe, D. R. Reichman, and O. Yaffe, “What remains unexplained about the optoelectronic properties of halide perovskites?”, Adv. Mater. 30, 1800691 (2018).

  • 191.

    I. Azuri, A. Hirsch, A. M. Reilly, A. Tkatchenko, S. Kendler, O. Hod, and L. Kronik, “Terahertz Spectroscopy of 2,4,6-trinitrotoluene Molecular Solids from First Principles”, Beilstein J. Org. Chem. (Special Issue on Dispersion Interactions) 14, 381 (2018).

  • 190.

    H. Alon, R. Garrick, S. P. Pujari, T. Toledano, O. Sinai, N. Klein-Kedem, T. Bendikov, J. Baio, T. Weidner, H. Zuilhof, D. Cahen, L. Kronik, C. N. Sukenik, and A. Vilan, “Effect of internal heteroatoms on level alignment at metal/molecular monolayer/Si interfaces”, J. Phys. Chem. C 122, 3312 (2018).

  • 189.

    T. Rangel, A. Rinn, S. Sharifzadeh, F. H. da Jornada, A. Pick, S. G. Louie, G. Witte, L. Kronik, J. B. Neaton, S. Chatterjee, “Low-lying excited-states in crystalline perylene”, PNAS 115, 284 (2018).

  • 188.

    (invited article) G. Prokopiou and L. Kronik, “Spin-state energetics of Fe complexes from an optimally-tuned range-separated hybrid functional”, Eur. J. Chem. (Special Issue on Spin States and Reactivity), 24, 5173 (2018). Selelected as "Hot Paper".

  • 187.

    R. T. Tung and L. Kronik, “Charge Density and Band Offsets at Heterovalent Semiconductor Interfaces”, Adv. Theory & Simul. 1, 1700001 (2018).

  • 186.

    L. Adler-Abramovich, Z. Arnon, X.-M. Sui, I. Azuri, H. Cohen, O. Hod, L. Kronik, L. J. W. Shimon, H. D. Wagner, And E. Gazit, “Bioinspired Flexible and Tough Layered Peptide Crystals”, Advanced Materials 30, 1704551 (2018).

  • 185.

    T. Maaravi, I. Leven, I. Azuri, L. Kronik, and O. Hod, “Interlayer Potential for Homogeneous Graphene and Hexagonal Boron Nitride Systems: Reparameterization for Many-Body Dispersion Effects”, J. Phys. Chem. C, 121, 22826 (2017).

  • 184.

    X. Wu, L. Z. Tan, X. Shen, T. Hu, K. Miyata, M. T. Trinh, R. Li, R. Coffee, S. Liu, D. A. Egger, I. Makasyuk, Q. Zheng, A. Fry, J. S. Robinson, M. D. Smith, B. Guzelturk, H. I. Karunadasa, X. Wang, X.-Y. Zhu, L. Kronik, A. M. Rappe, and A. Lindenberg, “Light-induced picosecond rotational disordering of the inorganic sublattice in hybrid perovskites”, Science Advances 3, 1602388 (2017).

  • 183.

    I. E. Brumboiu, G. Prokopiou, L. Kronik, and B. Brena, “Valence Electronic Structure of Cobalt Phthalocyanine from an Optimally Tuned Range-Separated Hybrid Functional”, J. Chem. Phys. 147, 044301 (2017).

  • 182.

    Z. Zheng, D. A. Egger, J.-L. Brédas, L. Kronik, and V. Coropceanu, “Effect of Solid-State Polarization on Charge-Transfer Excitations and Transport Levels at Organic Interfaces from a Screened Range-Separated Hybrid Functional”, J. Phys. Chem. Lett. 8, 3277 (2017).

  • 181.

    A. Hirsch, B. A. Palmer, N. Elad, D. Gur, S. Weiner, L. Addadi, L. Kronik, and L. Leiserowitz, “Biologically controlled morphology and twinning in guanine crystals”, Angew. Chem. Int’l Ed. 56, 9420 (2017).

  • 180.

    O. Yaffe, Y. Guo, L. Z. Tan, D. A. Egger, T. Hull, C. C. Stoumpos, F. Zheng, T. F. Heinz, L. Kronik, M. G. Kanatzidis, J. S Owen, A. M. Rappe, M. A. Pimenta, and L. E. Brus, “Local polar fluctuations in lead halide perovskite crystals”, Phys. Rev. Lett. 118, 136001 (2017).

  • 179.

    (invited article) T. Zelovich, T. Hansen, Z.-F. Liu, J. B. Neaton, L. Kronik, and O. Hod, “Parameter Free Driven Liouville–von Neumann Approach for Time-Dependent Electronic Transport Simulations in Open Quantum Systems”, J. Chem. Phys. (Special Issue on Frontiers in Molecular Scale Electronics), 146, 092331 (2017).

  • 178.

    (invited article) Z.-F. Liu, D. A. Egger, S. Refaely-Abramson, L. Kronik, and J. B. Neaton, “Energy Level Alignment at Molecule-Metal Interfaces from an Optimally-Tuned Range-Separated Hybrid Functional”, J. Chem. Phys. (Special Issue on Frontiers in Molecular Scale Electronics), 146, 092326 (2017).

  • 177.

    L. Musbat, M. Nihamkin, Y. Toker, J. M. Dilger, D. R. Fuller, T. J. El-Baba, D. E. Clemmer, S. Sarkar, L. Kronik, A. Hirshfeld, N. Friedman, and M. Sheves, “Measurements of the Stabilities of Isolated Retinal Chromophores”, Phys. Rev. E 95, 012406 (2017).

  • 176.

    L. Kronik and J. B. Neaton, “Excited State Properties of Molecular Solids from First Principles”, Annual Reviews Phys. Chem. 67, 587 (2016).

  • 175.

    B. F. Garrett, I. Azuri, L. Kronik, and J. R. Chelikowsky, “Real-Space Pseudopotential Method for Computing the Vibrational Stark Effect”, J. Chem. Phys. 145, 174111 (2016).

  • 174.

    E. Meirzadeh, I. Azuri, Y. Qi, D. Ehre, A. M. Rappe, M. Lahav, L. Kronik, and I. Lubomirsky, “Origin and structure of polar domains in doped molecular crystals”, Nature Comm. 7, 13351 (2016).

  • 173.

    M. Sendner, P. K. Nayak, D. A. Egger, S. Beck, C. Müller, B. Epding, W. Kowalsky, L. Kronik, H. J. Snaith, A. Puccia, and R. Lovrinčić, “Optical Phonons in Methylammonium Lead Halide Perovskites and Implications for Charge Transport”, Materials Horizons 3, 613 (2016).

  • 172.

    D. A. Egger, A. M. Rappe, and L. Kronik, “Hybrid Organic-Inorganic Perovskites on the Move”, Acct. Chem. Research (Special Issue on Lead-Halide Perovskites for Solar Energy Conversion), Acc. Chem. Res. 49, 573 (2016).

  • 171.

    C. Guo, X. Yu, S. Refaely-Abramson, L. Sepunaru, T. Bendikov, I. Pecht L. Kronik, A. Vilan, M. Sheves, and D. Cahen, “Tuning Electronic Transport via Hepta-Alanine Peptides Junction by Tryptophan Doping”, PNAS 113, 10785 (2016).

  • 170.

    T. M. Brenner, D. A. Egger, L. Kronik, G. Hodes, D. Cahen “Hybrid organic–inorganic perovskites: low-cost semiconductors with intriguing charge transport properties”, Nature Reviews Materials 1, 15007 (2016).

  • 169.

    R. T. Tung and L. Kronik, “Band offset formation at semiconductor heterojunctions through density-based minimization of interface energy”, Phys. Rev. B 94, 075310 (2016).

  • 168.

    J. Endres, D. A. Egger, M. Kulbak, R. A. Kerner, L. Zhao, S. H. Silver, G. Hodes, B. P. Rand, D. Cahen, L. Kronik, and A. Kahn, “Valence and conduction band densities of states of metal halide perovskites: a combined experimental - theoretical study”, J. Phys. Chem. Lett. 7, 2722 (2016).

  • 167.

    T. Zelovich, L. Kronik, and O. Hod, “The Driven Liouville von Neumann Approach for Time-Dependent Electronic Transport Calculations in a Non-Orthogonal Basis Set Representation”, J. Phys. Chem. C 120, 15052 (2016).

  • 166.

    I. Leven, T. Maaravi, I. Azuri, L. Kronik, and O. Hod, “Inter-Layer Potential for Graphene/h-BN Heterostructures”, J. Chem. Theo. Comp. 12, 2896 (2016).

  • 165.

    S. Dastidar, D. A. Egger, L. Z. Tan, S. B. Cromer, A. D. Dillon, S. Liu, L. Kronik, A. M. Rappe, and A. T. Fafarman, “High Chloride Doping Levels Stabilize the Perovskite Phase of Cesium Lead Iodide”, Nano Lett. 16, 3563 (2016).

  • 164.

    T. Rangel, K. Berland, S. Sharifzadeh, F. Altvater, K. Lee, P. Hyldgaard, L. Kronik, and J. B. Neaton, “Structural and excited-state properties of oligoacene crystals from first principles”, Phys. Rev. B 93, 115206 (2016).

  • 163.

    D. Rakhmilevitch, S. Sarkar, O. Bitton, L. Kronik, and O. Tal, “Enhanced magnetoresistance in molecular junctions by geometrical optimization of spin-selective orbital hybridization”, Nano Lett. 16, 1741 (2016).

  • 162.

    (invited paper) S. Sarkar and L. Kronik, “Ionization and (de-)protonation energies of gas-phase amino acids from an optimally tuned range-separated hybrid functional”, Mol. Phys. (Special Issue in Honor of Professor Andreas Savin) 114, 1218 (2016).

  • 161.

    Y. Li, P. Zolotavin, P. Doak, L. Kronik, J. B. Neaton, and D. Natelson, “Interplay of bias-driven charging and the vibrational Stark effect in molecular junctions”, Nano Lett. 16, 1104 (2016).

  • 160.

    M. Eckshtain-Levi, E. Capua, S. Refaely-Abramson, S. Sarkar, Y. Gavrilov, S. Mathew, Y. Paltiel, Y. Levy, L. Kronik, and R. Naaman, “Cold Denaturation induces inversion of dipole and spin transfer in chiral peptide monolayers”, Nature Comm. 7, 10744 (2016).

  • 159.

    A. Hirsch, D. Gur, I. Polishchuk, D. Levy, B. Pokroy, A. J. Cruz-Cabeza, L. Addadi, L. Kronik, and L. Leiserowitz, “‘Guanigma’: the revised structure of biogenic anhydrous guanine”, Chem. Mater. 27, 8289 (2015).

  • 158.

    T. M. Brenner, D. A. Egger, A. M. Rappe, L. Kronik, G. Hodes, and D. Cahen, “Are Mobilities in Hybrid Organic-Inorganic Halide Perovskites Actually ‘High’?”, J. Phys. Chem. Lett. 6, 4754 (2015).

  • 157.

    T. Zelovich, L. Kronik, and O. Hod, “Molecule-Lead Coupling at Molecular Junctions: Relation Between the Real- and State-Space Perspectives”, J. Chem. Theo. Comp. 11, 4861 (2015).

  • 156.

    E. Kraisler, T. Schmidt, S. Kümmel, and L. Kronik, “Effect of ensemble generalization on the highest-occupied Kohn-Sham eigenvalue”, J. Chem. Phys. 143, 104105 (2015).

  • 155.

    S. Refaely-Abramson, M. Jain, S. Sharifzadeh, J. B. Neaton, L. Kronik, “Solid-state optical absorption from optimally tuned time-dependent range-separated hybrid density functional theory”, Phys. Rev. B (Rapid Comm.) 92, 081204(R) (2015).

  • 154.

    I. Azuri, E. Meirzadeh, D. Ehre, S. R. Cohen, A. M. Rappe, M. Lahav, I. Lubomirsky, and L. Kronik, “Unusually large Young's moduli of amino-acid molecular crystals”, Angew. Chem. Int’l Ed. 54, 13566 (2015).

  • 153.

    L. Sepunaru, S. Refaely-Abramson, R. Lovrinčić, Y. Gavrilov, P. Agrawal, Y. Levy, L. Kronik, I. Pecht, M. Sheves, and D. Cahen, “Electronic Transport via Homo-peptides: The Role of Side Chains and Secondary Structure”, J. Am. Chem. Soc. 137, 9617 (2015). Highlighted in Phys.org.

  • 152.

    (invited paper) T. Toledano, R. Garrick, O. Sinai, T. Bendikov, A. Haj-Yahia, K. Lerman, H. Alon, C. Sukenik, A. Vilan, L. Kronik, D. Cahen, “Effect of binding group on hybridization across the silicon/aromatic-monolayer interface”, J. Electr. Spectr. Relat. Phenom. (Special Issue on Organic Electronics) 204, 149 (2015).

  • 151.

    D. A. Egger, L. Kronik, and A. M. Rappe, “Theory of Hydrogen Migration in Organic-Inorganic Halide Perovskites”, Angew. Chem. Int’l Ed. 54, 12437 (2015).

  • 150.

    J. Berry, T. Buonassisi, D. A. Egger, G. Hodes, L. Kronik, Y.-L. Loo, I. Lubomirsky, S. R. Marder, Y. Mastai, J. S. Miller, D. B. Mitzi, Y. Paz, A. M. Rappe, I. Riess, B. Rybtchinski, O. Stafsudd, V. Stevanovic, M. F. Toney, D. Zitoun, A. Kahn, D. Ginley, D. Cahen, “Hybrid Organic-Inorganic Perovskites (HOIPs): Opportunities and Challenges”, Adv. Mater. (Essay) 27, 5102 (2015).

  • 149.

    D. A. Egger, Z.-F. Liu, J. B. Neaton, and L. Kronik, “Reliable Energy Level Alignment at Physisorbed Molecule-Metal Interfaces from Density Functional Theory”, Nano Lett. 15, 2448 (2015).

  • 148.

    E. Kraisler and L. Kronik, “Elimination of the asymptotic fractional dissociation problem in Kohn-Sham density functional theory using the ensemble-generalization approach”, Phys. Rev. A 91, 032504 (2015).

  • 147.

    O. Sinai, O. T. Hofmann, P. Rinke, M. Scheffler, G. Heimel, and L. Kronik, “Multi-scale approach to the electronic structure of doped semiconductor surfaces”, Phys. Rev. B 91, 075311 (2015). Selected as “Editor’s suggestion”.

  • 146.

    V. Vlček, H. Eisenberg, G. Steinle-Neumann, L. Kronik, and R. Baer, “Deviations from piecewise linearity in the solid-state limit with approximate density functionals”, J. Chem. Phys. 142, 034107 (2015).

  • 145.

    S. Sharifzadeh, C. Y. Wong, H. Wu, B. L. Cotts, L. Kronik, N. S. Ginsberg, and J. B. Neaton, “Relating the physical structure and optoelectronic function of crystalline TIPS-pentacene”, Adv. Funct. Mater. (Special Issue on Computational Modeling of Organic Semiconductors) 25, 2038 (2015).

  • 143.

    D. Lüftner, S. Refaely-Abramson, M. Pachler, R. Resel, M. G. Ramsey, L. Kronik, and P. Puschnig, “Experimental and theoretical electronic structure of quinacridone”, Phys. Rev. B 90, 075204 (2014).

  • 142.

    I. Tamblyn, S. Refaely-Abramson, J. B. Neaton, and L. Kronik, “Simultaneous determination of structures, vibrations, and frontier orbital energies from a self-consistent range-separated hybrid functional”, J. Phys. Chem. Lett. 5, 2734 (2014).

  • 141.

    D. A. Egger and L. Kronik, “Role of Dispersive Interactions in Determining Structural Properties of Organic-Inorganic Halide Perovskites: Insights from First Principles Calculations”, J. Phys. Chem. Lett. 5, 2728 (2014).

  • 140.

    B. Feldman, T. Seideman, O. Hod, L. Kronik, “Real-space method for highly parallelizable electronic transport calculations”, Phys. Rev. B 90, 035445 (2014).

  • 139.

    T. Zelovich, L. Kronik, O. Hod, “State Representation Approach for Atomistic Time-Dependent Transport Calculations in Molecular Junctions”, J. Chem. Theo. Comp. 10, 2927 (2014).

  • 138.

    L. Kronik and A. Tkatchenko, “Understanding molecular crystals with dispersion-inclusive density-functional theory: pair-wise corrections and beyond”, Acct. Chem. Research (Special Issue on DFT Elucidation of Materials Properties), Acc. Chem. Res. 47, 3208 (2014).

  • 137.

    R. Vardimon, T. Yelin, M. Klionsky, S. Sarkar, A. Biller, L. Kronik, O. Tal, “Probing the Orbital Origin of Conductance Oscillations in Atomic Chains”, Nano Lett. 14, 2988 (2014).

  • 136.

    A. Hirsch, I. Azuri, L. Addadi, S. Weiner, K. Yang, S. Curtarolo, L. Kronik, “Infrared Absorption Spectrum of Brushite from First Principles”, Chem. Mater. 26, 2934 (2014).

  • 135.

    (invited paper) E. Kraisler and L. Kronik, “Fundamental gaps with approximate density functionals: the derivative discontinuity revealed from ensemble considerations”, J. Chem. Phys. (Special issue on Density Functional Theory) 140, 18A540 (2014).

  • 134.

    D. A. Egger, S. Weismann, S. Refaely-Abramson, S. Sharifzadeh, M. Dauth, R. Baer, S. Kümmel, J. B. Neaton, E. Zojer, L. Kronik, “Outer-valence electron spectra of prototypical aromatic heterocycles from an optimally-tuned range-separated hybrid functional”, J. Chem. Theo. Comp. 10, 1934 (2014).

  • 133.

    T. Schmidt, E. Kraisler, L. Kronik, S. Kümmel, “One-electron self-interaction and the asymptotics of the Kohn-Sham potential: an impaired relation” Phys. Chem. Chem. Phys. 16, 14357 (2014).

  • 132.

    I. Leven, I. Azuri, L. Kronik, O. Hod, “Inter-layer Potential for Hexagonal Boron Nitride”, J. Chem. Phys. 140, 104106 (2014).

  • 131.

    (invited paper) T. Schmidt, E. Kraisler, A. Makmal, L. Kronik, S. Kümmel, “A self-interaction-free local hybrid functional: accurate binding energies vis-à-vis accurate ionization potentials from Kohn-Sham eigenvalues”, J. Chem. Phys. (Special issue on Density Functional Theory) 140, 18A510 (2014).

  • 130.

    Y. Li, P. Doak, L. Kronik, J, B. Neaton, D. Natelson, “Voltage tuning of vibrational mode energies in single-molecule junctions”, PNAS 111, 1282 (2014).

  • 129.

    I. Azuri, L. Adler-Abramovich, E. Gazit, O. Hod, L. Kronik, “Why are diphenylalanine-based peptide nanostructures so rigid? Insights from first principles calculations”, J. Am. Chem. Soc. 136, 963 (2014).

  • 128.

    L. Kronik and Y. Morikawa, "Understanding the metal-molecule interface from first principles", in N. Koch, N. Ueno, and A. T. S. Wee, Ed., The Molecule-Metal Interface (Wiley-VCH, Weinheim, 2013), pp . 51-89.

  • 127.

    O. Cohen, L. Kronik, and A. Brandt, “Locally Refined Multigrid Solution of the All-Electron Kohn-Sham Equation”, J. Chem. Theo. Comp. 9, 4744 (2013).

  • 126.

    O. Yaffe, S. Pujari, O. Sinai, A. Vilan, H. Zuilhof, A. Kahn, L. Kronik, H. Cohen and D. Cahen, “Effect of doping density on the charge rearrangement and interface dipole at the molecule-silicon interface”, J. Phys. Chem. C 117, 22422 (2013).

  • 125.

    O. Yaffe, T. Ely, R. Har-Lavan, D. Egger, S. Johnston, H. Cohen, L. Kronik, A. Vilan and D. Cahen, “Effect of Molecule-Surface Reaction Mechanism on the Electronic Characteristics and Photovoltaic Performance of Molecularly-Modified Si”, J. Phys. Chem. C 117, 22351 (2013).

  • 124.

    S. Refaely-Abramson, S. Sharifzadeh, M. Jain, R. Baer, J. B. Neaton, L. Kronik, “Gap renormalization of molecular crystals from density functional theory”, Phys. Rev. B (Rapid Comm.) 88, 081204 (2013).

  • 123.

    P. Agrawal, A. Tkatchenko, and L. Kronik, “Pair-wise and many-body dispersive interactions coupled to an optimally-tuned range-separated hybrid functional", J. Chem. Theo. Comp. 9, 3473 (2013).

  • 122.

    S. Sharifzadeh, P. Darancet, L. Kronik, and J. B. Neaton, “Low-Energy Charge-Transfer Excitons in Organic Solids from First-Principles: The Case of Pentacene”, J. Phys. Chem. Lett. 4, 2197 (2013).

  • 121.

    O. Sinai and L. Kronik, ”Simulated doping of Si from first principles using pseudo-atoms, Phys. Rev. B 87, 235305 (2013).

  • 120.

    A. Karolewski, L. Kronik, and S. Kümmel “Using optimally-tuned range separated hybrid functionals in ground-state calculations: consequences and caveats”, J. Chem. Phys. 138, 204115 (2013).

  • 119.

    T. Yelin, R. Vardimon, N. Kuritz, R. Korytár, A. Bagrets, F. Evers, L. Kronik and O. Tal, “Atomically wired molecular junctions: Connecting a single organic molecule by chains of metal atoms”, Nano. Lett. 13, 1956 (2013).

  • 118.

    E. Kraisler and L. Kronik, “Piecewise linearity of approximate density functionals revisited: Implications for frontier orbital energies”, Phys. Rev. Lett. 110, 126403 (2013).

  • 117.

    E. Salomon, P. Amsalem, N. Marom, M. Vondracek, L. Kronik, N. Koch, and T. Angot, “Electronic structure of CoPc adsorbed on Ag(100): evidence for molecule-substrate interaction mediated by Co 3d orbitals", Phys. Rev. B 87, 075407 (2013).

  • 116.

    Y. Li, S. Calder, O. Yaffe, D. Cahen, H. Haick, L. Kronik, H. Zuilhof, “Hybrids of Organic Molecules and Flat, Oxide-Free Silicon: High-Density Monolayers, Electronic properties, and Functionalization", Langmuir (Feature Article) 28, 9920 (2012).

  • 115.

    T. Stein, J. Autschbach, N. Govind, L. Kronik and R. Baer, “Curvature and Frontier Orbital Energies in Density Functional Theory”, J. Phys. Chem. Lett. 3, 3740 (2012).

  • 114.

    S. Refaely-Abramson, S. Sharifzadeh, N, Govind, J. Autschbach, J. B. Neaton, R. Baer and L. Kronik, “Quasiparticle spectra from a non-empirical optimally-tuned range-separated hybrid density functional”, Phys. Rev. Lett. 109, 226405 (2012).

  • 113.

    F. Rissner, A. Natan, D. A. Egger, O. T. Hofmann. L. Kronik and E. Zojer, “Dimensionality effects in the electronic structure of organic semiconductors consisting of polar repeat units”, Org. Electr. 13, 3165 (2012).

  • 112.

    L. Kronik, T. Stein, S. Refaely-Abramson, R. Baer, “Excitation Gaps of Finite-Sized Systems from Optimally-Tuned Range-Separated Hybrid Functionals”, J. Chem. Theo. Comp. (Perspectives Article) 8, 1515 (2012).

  • 111.

    R. Viswanatha, D. Naveh, J. R. Chelikowsky, L. Kronik and D. D. Sarma, “Magnetic properties of Fe/Cu co-doped ZnO Nanocrystals”, J. Phys. Chem. Lett. 3, 2009 (2012).

  • 110.

    S. Sharifzadeh, A. Biller, L. Kronik and J. B. Neaton, “Quasiparticle and optical spectroscopy of the organic semiconductors pentacene and PTCDA from first principles”, Phys. Rev. B 85, 125307 (2012).

  • 109.

    O. Yaffe, Y. Qi, L. Scheres, S. R. Puniredd, L. Segev, T. Ely, H. Haick, H. Zuilhof,A. Vilan, L. Kronik, A. Kahn, and D. Cahen, “Charge transport across metal/molecular (alkyl) monolayer-Si junctions is dominated by the LUMO level”, Phys. Rev. B 85, 045433 (2012).

  • 108.

    T. Aqua, H. Cohen, O. Sinai, V. Frydman, T. Bendikov, D. Krepel, O. Hod, L. Kronik and R. Naaman, “Role of backbone charge rearrangement in the bond-dipole and work function of molecular monolayers”, J. Phys. Chem. C 115, 24888 (2011).

  • 107.

    N. Marom, A. Tkatchenko, M. Rossi, V. Gobre, O. Hod, M. Scheffler and L. Kronik, “Dispersion interactions with density-functional theory: benchmarking semiempirical and interatomic pairwise corrected density functionals‏”, J. Chem. Theo. Comp. 7, 3944 (2011).

  • 106.

    N. Marom, X. Ren, J. E. Moussa, J. R. Chelikowsky and L. Kronik, “Electronic Structure of Copper Phthalocyanine from G0W0 Calculations”, Phys. Rev. B 84, 195143 (2011).

  • 105.

    F. Rissner, D. A. Egger, A. Natan, T. Körzdörfer, S. Kümmel, L. Kronik, and E. Zojer, “Collectively Induced Quantum-Confined Stark Effect in Monolayers of Molecules Consisting of Polar Repeating Units”, J. Am. Chem. Soc. 133, 18634 (2011).

  • 104.

    A. Biller, I. Tamblyn, J. B. Neaton and L. Kronik, “Electronic level alignment at a metal-molecule interface from a short-range hybrid functional”, J. Chem. Phys. 135, 164706 (2011).

  • 103.

    S. Refaely-Abramson, R. Baer and L. Kronik, "Fundamental and excitation gaps in molecules of relevance for organic photovoltaics from an optimally tuned range-separated hybrid functional”, Phys. Rev. B 84, 075144 (2011). Selected as “Editor’s suggestion”.

  • 102.

    N. Kuritz, T. Stein , R. Baer and L. Kronik, "Charge-transfer-like π → π* excitations in time-dependent density functional theory: a conundrum and its solution", J. of Chem. Theory and Comp. 7, 2408 (2011).

  • 101.

    N. Marom, A. Tkatchenko, S. Kapishnikov, L. Kronik and L. Leiserowitz, "Structure and Formation of Synthetic Hemozoin: Insights From First-Principles Calculations", Cryst. Growth & Design 11, 3332 (2011).

  • 100.

    A. Makmal, S. Kümmel, and L. Kronik, "Dissociation of diatomic molecules and the exact-exchange Kohn-Sham potential: the case of LiF", Phys. Rev. A 83, 062512 (2011).

  • 99.

    K. M. Poduska, L. Regev, E. Boaretto, L. Addadi, S. Weiner, L. Kronik, and S. C. Curtarolo, "Decoupling local disorder and optical effects in infrared spectra: differentiating between calcites with different origins", Adv. Mater. 23, 550 (2011).

  • 98.

    A. Landau, L. Kronik, and A. Nitzan, "Molecular conduction junctions: Intermolecular effects", in Perspectives of Mesoscopic Physics (World Scientific, Singapore, 2010), pp. 159-182.

  • 97.

    T. Stein, H. Eisenberg, L. Kronik, and R. Baer, "Fundamental gaps in finite systems from eigenvalues of a generalized Kohn-Sham method", Phys. Rev. Lett. 105, 266802 (2010).

  • 96.

    N. Marom, J. Bernstein, J. Garel, A. Tkatchenko, E. Joselevich, L. Kronik, and O. Hod, "Stacking and Registry Effects in Layered Materials: The Case of Hexagonal Boron Nitride", Phys. Rev. Lett. 105, 046801 (2010).

  • 95.

    A. Natan, N. Kuritz, and L. Kronik, "Polarizability, susceptibility, and dielectric constant of nano-scale molecular films: a microscopic view", Adv. Funct. Mater. 22, 2525 (2010).

  • 94.

    L. Kronik and N. Koch, "Electronic properties of organic-based Interfaces", Editorial article, MRS Bull. 35, 417 (2010).

  • 93.

    O. Yaffe, L. Scheres, L. Segev, A. Biller, I. Ron, E. Salomon, M. Giesbers, A. Kahn, L. Kronik, H. Zuilhof, A. Vilan, and D. Cahen, "Hg/Molecular Monolayer−Si Junctions: Electrical Interplay between Monolayer Properties and Semiconductor Doping Density", J. Phys. Chem. C 114, 10270 (2010).

  • 92.

    N. Marom, A. Tkatchenko, M. Scheffler, and L. Kronik, "Describing both dispersion interactions and electronic structure using density functional theory: the case of metal-phthalocyanine dimers", J. Chem. Theo. Comp. 6, 81 (2010).

  • 91.

    T. Stein, L. Kronik, and R. Baer, "Prediction of charge-transfer excitations in coumarin-based dyes using a range-separated functional tuned from first principles", J. Chem. Phys. 131, 244119 (2009).

  • 90.

    E. Capua, A. Natan, L. Kronik, and R. Naaman, "The Molecularly Controlled Semiconductor Resistor: How does it work?", ACS Appl. Mater. Interfaces 1, 2679 (2009).

  • 89.

    B. D. Schultz, N. Marom, D. Naveh, X. Lou, C. Adelmann, J. Strand, P. A. Crowell, L. Kronik, and C. J. Palmstrom, "Spin injection across the Fe/GaAs interface: Role of interfacial ordering", Phys. Rev. B. (Rapid Comm.) 80, 201309 (2009).

  • 88.

    A. Makmal, R. Armiento, E. Engel, L. Kronik, and S. Kümmel, "Examining the Role of Pseudopotentials in Exact-Exchange-Based Kohn-Sham Gaps", Phys. Rev. B. (Rapid Comm.) 80, 161204 (2009).

  • 87.

    A. Makmal, S. Kümmel, and L. Kronik, "Fully numerical all-electron solutions of the optimized effective potential equation for diatomic molecules", J. Chem. Theo. Comp. 5, 1731 (2009).

  • 86.

    A. Landau, L. Kronik, and A. Nitzan, "Cooperative effects in molecular conduction II: The semiconductor-metal-molecular junction", J. Phys. Chem. A 5, 535 (2009).

  • 85.

    T. Körzdörfer, S. Kümmel, N. Marom, and L. Kronik, "When to trust photoelectron spectra from Kohn-Sham eigenvalues: the case of organic semiconductors", Phys. Rev. B (Rapid Comm.) 79, 201205 (2009).

  • 84.

    T. Stein, L. Kronik, and R. Baer, "Reliable Prediction of Charge Transfer Excitations in Molecular Complexes Using Time-Dependent Density Functional Theory", J. Am. Chem. Soc. (Communications) 131, 2818 (2009).

  • 83.

    (invited paper) N. Marom and L. Kronik, "Density Functional Theory of Transition Metal Phthalocyanines. II: Electronic Structure of MnPc and FePc - Symmetry and Symmetry Breaking", Appl. Phys. A 95, 165 (2009). (Special Issue on Organic Materials for Electronic Applications)

  • 82.

    (invited paper) N. Marom and L. Kronik, "Density Functional Theory of Transition Metal Phthalocyanines. I: Electronic Structure of NiPc and CoPc- Self-Interaction Effects", Appl. Phys. A 95, 159 (2009). (Special Issue on Organic Materials for Electronic Applications).

  • 81.

    D. Naveh and L. Kronik, "Real-Space Pseudopotential method for Noncollinear Magnetism within Density Functional Theory", Solid State Comm. 149, 177 (2009).

  • 80.

    T. Levy Nahum, R. Mamlok-Naaman, A. Hofstein, and L. Kronik, "A new 'bottom-up' framework for teaching chemical bonding", J. Chem. Ed. 85, 1680 (2008).

  • 79.

    A. Natan, A. Benjamini, D. Naveh, L. Kronik, M. L. Tiago, S. P. Beckman, and J. R. Chelikowsky, "Real-space pseudopotential method for first principles calculations of general periodic and partially periodic systems", Phys. Rev. B 78, 075109 (2008).

  • 78.

    G. Diamant, E. Halahmi, L. Kronik, J. Levy, R. Naaman, and J. Roulston, "Integrated circuits based on nano-scale vacuum phototubes", Appl. Phys. Lett. 92, 262903 (2008).

  • 77.

    I. Magid, L. Burstein, O. Seitz, L. Segev, L. Kronik, and Y. Rosenwaks, "Electronic characterization of Si(100)-bound alkyl monolayers using Kelvin probe force microscopy", J. Phys. Chem. C 112, 7145-7151 (2008).

  • 76.

    N. Marom, O. Hod, G. E. Scuseria, and L. Kronik, "Electronic Structure of Copper Phthalocyanine: a Comparative Density Functional Theory Study", J. Chem. Phys. 128, 164107 (2008).

  • 75.

    S. K. Sarkar, G. Hodes, L. Kronik, and H. Cohen, "Defect Dominated Charge Transport in Si-supported CdSe Nanoparticle Films", J. Phys. Chem. C 112, 6564-6570 (2008).

  • 74.

    A. Landau, L. Kronik, and A. Nitzan, "Cooperative effects in molecular conduction", J. Comp. Theo. Nanosci. 5, 535 (2008).

  • 73.

    S. Kümmel and L. Kronik, "Orbital-dependent density functionals: theory and applications", Rev. Mod. Phys. 80, 3 (2008).

  • 72.

    V. Bonacic-Koutecky, C. Buergel, L. Kronik, A. E. Kuznetsov, and R. Mitric, "Optical Properties of Small Silver Clusters Supported at MgO", Eur. Phys. J. D. 45, 471 (2007).

  • 71.

    A. Sitt, L. Kronik, S. Ismail-Beigi, and J. R. Chelikowsky, "Excited state forces within time-dependent density functional theory: a frequency domain approach", Phys. Rev. A 76, 054501 (2007).

  • 70.

    D. Naveh, L. Kronik, M. L. Tiago, and J. R. Chelikowsky, "Real-Space Pseudopotential method for Spin-Orbit Coupling within Density Functional Theory", Phys. Rev. B 76, 153407 (2007).

  • 69.

    A. Natan, L. Kronik, H. Haick, and R. Tung, "Electrostatic Properties of Ideal and Non-ideal Polar Organic Monolayers: Implications for Electronic Devices", Adv. Mater. 19, 4103 (2007).

  • 68.

    J. C. Woicik, M. Yekutiel, E. J. Nelson, N. Jacobson, P. Pfalzer, M. Klemm, S. Horn, and L. Kronik, "Chemical Bonding and Many-Body Effects in Site-Specific x-Ray Photoelectron Spectra of Corundum V2O3", Phys. Rev. B 76, 165101 (2007).

  • 67.

    O. Guliamov, A. I. Frenkel, L. D. Menard, R. G. Nuzzo, and L. Kronik, "Tangential Ligand-Induced Strain in Icosahedral Au13", J. Am. Chem. Soc. (Comm.) 129, 10978 (2007).

  • 66.

    O. Guliamov, L. Kronik, and J. M. L. Martin, "Polarizability of small carbon cluster anions from first principles", J. Phys. Chem. A 111, 2028 (2007).

  • 65.

    D. Deutsch, A. Natan, Y. Shapira, and L. Kronik, "Electrostatic properties of adsorbed polar molecules: Opposite behavior of a single molecule and a molecular monolayer", J. Am. Chem. Soc. 129, 2989 (2007).

  • 64.

    R. Gueta, A. Natan, L. Addadi, S. Weiner, K. Refson, and L. Kronik, "Local atomic order and infrared spectra of biogenic calcite", Angew. Chemie Int'l Ed. 46, 291 (2007).

  • 63.

    F. Amy, C.K. Chan, W. Zhao, J. Hyung, M. Ono, T. Sueyoshi, S. Kera, G. Nesher, A. Salomon, L. Segev, O. Seitz, H. Shpaisman, A. Schöll, M. Haeming, D. Cahen, L. Kronik, N. Ueno, E. Umbach, and A. Kahn, "Radiation damage to alkyl chain monolayers on semiconductor substrates investigated by electron spectroscopy", J. Phys. Chem. B 110, 21826 (2006).

  • 62.

    L. Segev, A. Salomon, A. Natan, D. Cahen, L. Kronik, F. Amy, C. K. Chan, and A. Kahn, "Electronic structure of Si(111)-bound alkyl monolayers: theory and experiment", Phys. Rev. B 74, 165323 (2006).

  • 61.

    A. Natan, L. Kronik, and Y. Shapira, "Computing surface dipoles and potentials of self-assembled monolayers from first principles", Appl. Surf. Sci. 252, 7608 (2006).

  • 60.

    D. Naveh and L. Kronik, "Spin-polarized Electronic structure of Mn-IV-V2 chalcopyrites", Phys. Stat. Solidi (b) 243, 2159 (2006).

  • 59.

    L. Kronik, A. Makmal, M. Tiago, M. M. G. Alemany, X. Huang, Y. Saad, and J. R. Chelikowsky, "PARSEC - the pseudopotential algorithm for real-space electronic structure calculations: recent advances and novel applications to nano-structures", Phys. Stat. Solidi. (b) (Feature Article) 243, 1063 (2006).

  • 58.

    N. Dori, M. Menon, L. Kilian, M. Sokolowski, L. Kronik, and E. Umbach, "Valence Electronic Structure of Gas Phase 3,4,9,10-perylene tetracarboxylic-acid-dianhydride : Experiment and Theory", Phys. Rev. B 73, 195208 (2006).

  • 57.

    A. Natan, Y. Zidon, Y. Shapira, and L. Kronik, "Cooperative effects and dipole formation at semiconductor and self-assembled-monolayer interfaces", Phys. Rev. B 73, 193310 (2006).

  • 56.

    S. Kümmel and L. Kronik, "Hyperpolarizabilities of molecular chains: a real space approach", Comput. Mater. Sci. 35, 321 (2006).

  • 55.

    O. Guliamov, L. Kronik, and K. A. Jackson, "Photoelectron spectroscopy as a structural probe of intermediate size clusters", J. Chem. Phys. 123, 204312 (2005).

  • 54.

    X. Huang, A. Makmal, J. R. Chelikowsky, and L. Kronik, "Size-dependent spintronic properties of dilute magnetic semiconductor nanocrystals", Phys. Rev. Lett. 94, 236801 (2005).

  • 53.

    G. Nesher, L. Kronik, and J. R. Chelikowsky, "Ab initio absorption spectra of Ge nanocrystals", Phys. Rev. B 71, 035344 (2005).

  • 52.

    S. Kümmel, L. Kronik, and J. P. Perdew, "Electrical response of molecular chains from density functional theory", Phys. Rev. Lett. 93, 213002 (2004).

  • 51.

    L. Kronik, M. Jain, and J. R. Chelikowsky, "Electronic structure and spin-polarization of MnGaP", Appl. Phys. Lett. 85, 2014 (2004).

  • 50.

    M. M. G. Alemany, M. Jain, J. R. Chelikowsky, and L. Kronik, "Real-space pseudopotential method for computing the electronic properties of periodic systems", Phys. Rev. B 69, 075101 (2004).

  • 49.

    L. Kronik and Y. Shapira, "Surface photovoltage spectroscopy of semiconductors", in Robert D. Guenther, Duncan G. Steel and Leopold Bayvel Ed., Encyclopedia of Modern Optics (Elsevier, Oxford, 2004), pp.36-43.

  • 48.

    J. R. Chelikowsky, L. Kronik, I. Vasiliev, M. Jain, and Y. Saad, "Using Real Space Pseudopotentials for the Electronic Structure Problem", in C. Le Bris, Ed., Handbook of Numerical Analysis - Volume X: Computational Chemistry (Elsevier, Amsterdam, 2003), pp. 613-637.

  • 47.

    W. R. Burdick, Y. Saad, L. Kronik, I. Vasiliev, M. Jain, and J. R. Chelikowsky, "Parallel Implementation of Time-Dependent Density Functional Theory", Computer Phys. Comm. 156, 22 (2003).

  • 46.

    J. R. Chelikowsky, L. Kronik, and I. Vasiliev, "Time dependent density functional theory for the optical spectra of molecules, clusters, and nanocrystals", J. Phys.: Condensed Matter 15, R1517 (2003).

  • 45.

    L. Kronik, R. Fromherz, E. Ko, G. Ganteför, and J. R. Chelikowsky, "Photoemission spectra of deuterated silicon clusters: experiment and theory", Eur. Phys. J. D. 24, 33 (2003).

  • 44.

    M. C. Troparevsky, L. Kronik, and J. R. Chelikowsky, "Optical properties of CdSe quantum dots", J. Chem. Phys. 119, 2284 (2003).

  • 43.

    M. Muñoz, T. M. Holden, F. H. Pollak, M. Kahn, D. Ritter, L. Kronik, and G. M. Cohen, "Optical Constants of In0.53Ga0.47As: Experiment and Modeling", J. Appl. Phys. 92, 5878 (2002).

  • 42.

    L. Kronik, R. Fromherz, E. Ko, G. Ganteför, and J. R. Chelikowsky, "Highest electron affinity as a predictor of cluster anion structures", Nature Materials (inaugural issue) 1, 49 (2002).

  • 41.

    L. Kronik, M. Jain, and J. R. Chelikowsky, "Electronic structure and spin-polarization of MnxGa1-xN", Phys. Rev. B (Rapid Communications) 66, 041203 (2002).

  • 40.

    J. C. Woicik, E. J. Nelson, L. Kronik, M. Jain, J. R. Chelikowsky, E. Heskett, L. Berman, and M. Herman, "Hybridization and Bond-Orbital Components in Site-Specific X-Ray Photoelectron Spectra of Rutile TiO2", Phys. Rev. Lett. 89, 077401 (2002).

  • 39.

    M. C. Troparevsky, L. Kronik, and J. R. Chelikowsky "Ab initio absorption spectra of CdSe clusters", Phys. Rev. B 65, 033311 (2002).

  • 38.

    M. Jain, L. Kronik, J. R. Chelikowsky, and V. V. Godlevsky, "Electronic structure and spin polarization of Mn-containing dilute magnetic III-V semiconductors", Phys. Rev. B 64, 245205 (2001).

  • 37.

    L. Kronik, I. Vasiliev, M. Jain, and J. R. Chelikowsky, "Ab Initio structures and polarizabilities of sodium clusters", J. Chem. Phys. 115, 4322 (2001).

  • 36.

    M. Muñoz, F. H. Pollak, M. Kahn, D. Ritter, L. Kronik, and G. M. Cohen, "Burstein-Moss shift of n-doped In0.53Ga0.47As", Phys. Rev. B 63, 233302 (2001).

  • 35.

    J. C. Woicik, E. J. Nelson, T. Kendelewicz, P. Pianetta, M. Jain, L. Kronik, and J. R. Chelikowsky, "Partial density of occupied valence states by x-ray standing waves and high-resolution photoelectron spectroscopy", Phys. Rev. B 63 (rapid communications), 041403 (2001).

  • 34.

    L. Kronik and Y. Shapira, "Surface photovoltage spectroscopy of semiconductor structures: at the cross-roads of physics, chemistry, and electrical engineering", Surf. Interface Anal. (Special Issue on Optical Characterization Techniques) 31, 954 (2001).

  • 33.

    L. Kronik, I. Vasiliev, and J. R. Chelikowsky, "Ab initio calculations for structure and temperature effects on the polarizabilities of Nan(n <~ 20) clusters", Phys. Rev. B 62, 9992 (2000).

  • 32.

    I. Shalish, L. Kronik, G. Segal, Y. Shapira, M. Eizenberg, and J. Salzman, "Yellow luminescence and Fermi level pinning in GaN layers", Appl. Phys. Lett. 77, 987 (2000).

  • 31.

    I. Shalish, L. Kronik, G. Segal, Y. Shapira, S. Zamir, B. Meyler, and J. Salzman, "Grain-boundary-controlled transport in GaN layers", Phys. Rev. B 61, 15573 (2000).

  • 30.

    J.-F. Guillemoles, L. Kronik, D. Cahen, U. Rau, and H.-W. Schock, "Stability issues of Cu(In,Ga)Se2-based solar cells", J. Phys. Chem. B 104, 4849 (2000).

  • 29.

    L. Kronik, U. Rau, J.-F. Guillemoles, D. Braunger, H.-W. Schock, and D. Cahen, "Interface redox engineering of Cu(In,Ga)Se2-based solar cells: oxygen, sodium,and chemical bath effects", Thin Solid Films 361-362, 353 (2000).

  • 28.

    R. Cohen, L. Kronik, A. Vilan, A. Shanzer, Y. Rosenwaks, and D. Cahen, "Frontier orbital model of semiconductor surface passivation: Dicarboxylic acids on n- and p-GaAs", Adv. Mater. 12, 33 (2000).

  • 27.

    L. Kronik and Y. Shapira, "Surface photovoltage phenomena: theory, experiment, and applications", Surf. Sci. Rep. (complete issue) 37, 1-206 (1999).

  • 26.

    R. Cohen, L. Kronik, A. Shanzer, D. Cahen, A. Liu, Y. Rosenwaks, J. Lorenz and A. B. Ellis, "Molecular Control over Semiconductor Surface Electronic Properties:  Dicarboxylic Acids on CdTe, CdSe, GaAs, and InP", J. Am. Chem. Soc. 121, 10545 (1999).

  • 25.

    D. Gal, Y. Mastai, G. Hodes, and L. Kronik, "Band gap determination of semiconductor powders via surface photovoltage spectroscopy", J. Appl. Phys. 86, 5573 (1999).

  • 24.

    S. Bastide, D. Gal, D. Cahen, and L. Kronik, "Surface Photovoltage Measurements in Liquids", Rev. Sci. Instrum. 70, 4032 (1999).

  • 23.

    J.-F. Guillemoles, U. Rau, L. Kronik, A. Jasenek, H.-W. Schock, and D. Cahen, "Cu(In,Ga)Se2 solar cells: Device stability based on chemical flexibility", Adv. Mater. 11, 957 (1999).

  • 22.

    U. Rau, D. Braunger, R. Herberholz, H.-W. Schock, J.-F. Guillemoles, L. Kronik, and D. Cahen, "Oxygenation and air-annealing effects on the electronic properties o Cu(In,Ga)Se2 films and devices", J. Appl. Phys. 86, 497 (1999).

  • 21.

    I. Shalish, L. Kronik, G. Segal, Y. Shapira, Y. Rosenwaks, U. Tisch, and J. Salzman, "Yellow luminescence and related deep levels in unintentionally doped GaN films", Phys. Rev. B 59, 9748 (1999).

  • 20.

    O. B. Aphek, L. Kronik, M. Leibovitch, and Y. Shapira, "Quantitative assessment of the photosaturation technique", Surf. Sci. 409, 485 (1998).

  • 19.

    L. Kronik, N. Ashkenasy, M. Leibovitch, E. Fefer, Y. Shapira, S. Gorer, and G. Hodes, "Surface states and photovoltaic effects at CdSe quantum dot films", J. Electrochem. Soc. 145, 1748 (1998).

  • 18.

    L. Kronik, D. Cahen, and H.-W. Schock, "Effects of sodium on Polycrystalline Cu (In, Ga) Se2 and Its Solar Cell Performance", Adv. Mater. 10, 31 (1998).

  • 17.

    L. Kronik, B. Mishori, E. Fefer, Y. Shapira, and W. Riedl, "Quality control and characterization of Cu(In,Ga)Se2-based thin film solar cells by surface photovoltage spectroscopy", Solar En. Mater. Sol. Cells. 51, 21 (1998).

  • 16.

    E. Halahmi, O. Levi, L. Kronik, and R. L. Boxman, "Development of latent fingerprints using a corona discharge", J. Forensic Sciences 42, 833 (1997).

  • 15.

    E. Fefer, L. Kronik, M. Leibovitch, Y, Shapira, and W. Riedl, "In-situ monitoring of surface chemistry and charge transfer at semiconductor surfaces", Appl. Surf. Sci. 104-105, 61 (1996).

  • 14.

    M. Leibovitch, L. Kronik, B. Mishori, Y. Shapira. C. M. Hanson, and A. R. Clawson, "Determining band offsets using surface photovoltage spectroscopy: The InP/In0.53Ga0.47As heterojunction", Appl. Phys. Lett. 69, 2587 (1996).

  • 13.

    M. Leibovitch, P. Ram, L. Malikova, F. H. Pollak, J. L. Freeouf, L. Kronik, B. Mishori, Y. Shapira, A. R. Clawson, and C. M. Hanson, "Reflection anisotropy spectroscopy, surface photovoltage spectroscopy, and contactless electroreflectance investigation of the InP/In0.53Ga0.47As(001) heterojunction system", J. Vac. Sci. Technol. B14, 3089 (1996).

  • 12.

    E. Moons, D. Gal, J. Beier, G. Hodes, D. Cahen, L. Kronik, L. Burstein, B. Mishori, Y. Shapira, D. Hariskos and H.-W. Schock, "Effect of air annealing on the electronic properties of CdS/Cu(In,Ga)Se2 solar cells", Solar En. Mater. Sol. Cells 43, 73 (1996).

  • 11.

    M. Leibovitch, L. Kronik, E. Fefer, L. Burstein, V. Korobov, and Y. Shapira, "Surface photovoltage spectroscopy of thin films", J. Appl. Phys. 79, 8549 (1996).

  • 10.

    E. Halahmi and L. Kronik, "Color corona discharge images", IEEE Trans. Plasma Sci. (special issue on "Images in plasma science") 24, 87 (1996).

  • 9.

    N. Bachrach-Ashkenasy, L. Kronik, Y. Shapira, Y. Roesnwaks, M. C. Hanna, M. Leibovitch, and P. Ram, "Surface photovoltage spectroscopy of quantum wells and superlattices", Appl. Phys. Lett. 68, 879 (1996).

  • 8.

    L. Kronik, L. Burstein, M. Leibovitch, Y. Shapira, D. Gal, E. Moons, J. Beier, G. Hodes, D. Cahen, D. Hariskos, R. Klenk, and H.-W. Schock, "Band diagram of the polycrystalline CdS/Cu(In,Ga)Se2 heterojunction", Appl. Phys. Lett. 67, 1405 (1995).

  • 7.

    L. Kronik, M. Leibovitch, E. Fefer, V. Korobov and Y. Shapira, "Electronic Characterization of Heterojunctions by Surface Potential Monitoring", J. Electron. Mater. 24, 893 (1995).

  • 6.

    L. Kronik, M. Leibovitch, E. Fefer, L. Burstein, and Y. Shapira, "Quantitative Surface Photovoltage Spectroscopy of Semiconductor Interfaces", J. Electron. Mater. 24, 379 (1995).

  • 5.

    M. Leibovitch, L. Kronik, E. Fefer, V. Korobov, and Y. Shapira, "Constructing band diagrams of semiconductor heterojunctions", Appl. Phys. Lett. 66, 457 (1995).

  • 4.

    M. Leibovitch, L. Kronik, E. Fefer, and Y. Shapira, "Distinction between surface and bulk states in surface-photovoltage spectroscopy", Phys. Rev. B 50, 1739 (1994).

  • 3.

    L. Kronik, G. Khermosh, M. Cohen, and S. Ruschin, "Effects of mirror jitter and loss modulation in Q switched lasers: A state space analysis", Appl. Opt. 33, 344 (1994).

  • 2.

    L. Kronik and Y. Shapira, "New approach to quantitative surface photovoltage spectroscopy analysis", J. Vac. Sci. Technol. A 11, 3081 (1993).

  • 1.

    L. Kronik, L. Burstein, Y. Shapira, and M. Oron, "Laser surface photovoltage spectroscopy: A new tool for the determination of surface state distributions", Appl. Phys. Lett. 63, 60 (1993).

  • 205.

    S. Bhandari, M. S. Cheung, E. Geva, L. Kronik, and B. D. Dunietz, “Fundamental Gaps of Condensed-Phase Organic Semiconductors from Single-Molecule Calculations using Polarization-Consistent Optimally Tuned Screened Range-Separated Hybrid Functionals”, J. Chem. Theo. Comput., in press (2018).

  • 203.

    B. Shi, S. Weissman, F. Bruneval, L. Kronik, and Serdar Öğüt, “Photoelectron Spectra of Copper Oxide Cluster Anions from First Principles Methods”, J. Chem. Phys. 149, 064306 (2018).

  • 202.

    D. Manna, J. Blumberger, J. M. L. Martin, and L. Kronik, “Prediction of electronic couplings for molecular charge transfer using optimally-tuned range-separated hybrid functionals”, Mol. Phys. (Special Issue in honor of Dr. Michael Baer) 116, 2497 (2018).

  • 201.

    R. Baer and L. Kronik, “Time-Dependent Generalized Kohn-Sham Theory”, Eur. Phys. J. B (Special Issue in Honor of Prof. Hardy Gross) 91, 170 (2018).

  • 200.

    K. Banerjee-Ghosh, O. Ben Dor, F. Tassinari, E. Capua, S. Yochelis, A. Capua, S.-H. Yang, S. S. P. Parkin, S. Sarkar, L. Kronik, L. T. Baczewski, R. Naaman, and Y. Paltiel, “Separation of enantiomers by their enantiospecific interaction with achiral magnetic substrates”, Science 360, 1331 (2018)Highlighted by Chemical & Engineering News and Physics Today

  • 199.

    A. K. Manna, S. Refaely-Abramson, A. M. Reilly, A. Tkatchenko, J. B. Neaton, and L. Kronik, “Quantitative prediction of optical absorption in molecular solids from an optimally-tuned screened range-separated hybrid functional”, J. Chem. Theo. Comp. 14, 2919 (2018).

  • 198.

    T. Gould, L. Kronik, and S. Pittalis, “Charge transfer excitations from exact and approximate ensemble Kohn-Sham theory”, J. Chem. Phys. 148, 174101 (2018).

  • 197.

    I. V. Kabakova, I. Azuri, Z. Chen, P. K. Nayak, H. J. Snaith, L. Kronik, C. Paterson, A. A. Bakulin, and D. A. Egger, “The Effect of Ionic Composition on Acoustic Phonon Speeds in Hybrid Perovskites from Brillouin Spectroscopy and Density Functional Theory”, J. Mater. Chem. C 6, 3861 (2018).

  • 196.

    S. Sarkar, J. Yang, L. Z. Tan, A. M. Rappe, and L. Kronik, "Molecule-Adsorbed Topological Insulator and Metal Surfaces: a Comparative First Principles Study", Chem. Mater. 30, 1849 (2018).

  • 195.

    B. A. Palmer, A. Hirsch, V. Brumfeld, E. D. Aflalo, I. Pinkas, A. Sagi, S. Rozenne, D. Oron, L. Leiserowitz, L. Kronik, S. Weiner and L. Addadi, “Optically functional isoxanthopterin crystals in the mirrored eyes of decapod crustaceans”, PNAS 115, 2299 (2018).

  • 193.

    C. Guo, S. Sarkar, S. Refaely-Abramson, D. A. Egger, T. Bendikov, K. Yonezawa,Y. Suda, T. Yamaguchi, I. Pecht, S. Kera, N. Ueno, M. Sheves, L. Kronik, D. Cahen, “Electronic structure of dipeptides in the gas-phase and as an adsorbed monolayer”, Phys. Chem. Chem. Phys. 20, 6860 (2018).

  • 191.

    I. Azuri, A. Hirsch, A. M. Reilly, A. Tkatchenko, S. Kendler, O. Hod, and L. Kronik, “Terahertz Spectroscopy of 2,4,6-trinitrotoluene Molecular Solids from First Principles”, Beilstein J. Org. Chem. (Special Issue on Dispersion Interactions) 14, 381 (2018).

  • 190.

    H. Alon, R. Garrick, S. P. Pujari, T. Toledano, O. Sinai, N. Klein-Kedem, T. Bendikov, J. Baio, T. Weidner, H. Zuilhof, D. Cahen, L. Kronik, C. N. Sukenik, and A. Vilan, “Effect of internal heteroatoms on level alignment at metal/molecular monolayer/Si interfaces”, J. Phys. Chem. C 122, 3312 (2018).

  • 189.

    T. Rangel, A. Rinn, S. Sharifzadeh, F. H. da Jornada, A. Pick, S. G. Louie, G. Witte, L. Kronik, J. B. Neaton, S. Chatterjee, “Low-lying excited-states in crystalline perylene”, PNAS 115, 284 (2018).

  • 188.

    (invited article) G. Prokopiou and L. Kronik, “Spin-state energetics of Fe complexes from an optimally-tuned range-separated hybrid functional”, Eur. J. Chem. (Special Issue on Spin States and Reactivity), 24, 5173 (2018). Selelected as "Hot Paper".

  • 187.

    R. T. Tung and L. Kronik, “Charge Density and Band Offsets at Heterovalent Semiconductor Interfaces”, Adv. Theory & Simul. 1, 1700001 (2018).

  • 186.

    L. Adler-Abramovich, Z. Arnon, X.-M. Sui, I. Azuri, H. Cohen, O. Hod, L. Kronik, L. J. W. Shimon, H. D. Wagner, And E. Gazit, “Bioinspired Flexible and Tough Layered Peptide Crystals”, Advanced Materials 30, 1704551 (2018).

  • 185.

    T. Maaravi, I. Leven, I. Azuri, L. Kronik, and O. Hod, “Interlayer Potential for Homogeneous Graphene and Hexagonal Boron Nitride Systems: Reparameterization for Many-Body Dispersion Effects”, J. Phys. Chem. C, 121, 22826 (2017).

  • 184.

    X. Wu, L. Z. Tan, X. Shen, T. Hu, K. Miyata, M. T. Trinh, R. Li, R. Coffee, S. Liu, D. A. Egger, I. Makasyuk, Q. Zheng, A. Fry, J. S. Robinson, M. D. Smith, B. Guzelturk, H. I. Karunadasa, X. Wang, X.-Y. Zhu, L. Kronik, A. M. Rappe, and A. Lindenberg, “Light-induced picosecond rotational disordering of the inorganic sublattice in hybrid perovskites”, Science Advances 3, 1602388 (2017).

  • 183.

    I. E. Brumboiu, G. Prokopiou, L. Kronik, and B. Brena, “Valence Electronic Structure of Cobalt Phthalocyanine from an Optimally Tuned Range-Separated Hybrid Functional”, J. Chem. Phys. 147, 044301 (2017).

  • 182.

    Z. Zheng, D. A. Egger, J.-L. Brédas, L. Kronik, and V. Coropceanu, “Effect of Solid-State Polarization on Charge-Transfer Excitations and Transport Levels at Organic Interfaces from a Screened Range-Separated Hybrid Functional”, J. Phys. Chem. Lett. 8, 3277 (2017).

  • 181.

    A. Hirsch, B. A. Palmer, N. Elad, D. Gur, S. Weiner, L. Addadi, L. Kronik, and L. Leiserowitz, “Biologically controlled morphology and twinning in guanine crystals”, Angew. Chem. Int’l Ed. 56, 9420 (2017).

  • 180.

    O. Yaffe, Y. Guo, L. Z. Tan, D. A. Egger, T. Hull, C. C. Stoumpos, F. Zheng, T. F. Heinz, L. Kronik, M. G. Kanatzidis, J. S Owen, A. M. Rappe, M. A. Pimenta, and L. E. Brus, “Local polar fluctuations in lead halide perovskite crystals”, Phys. Rev. Lett. 118, 136001 (2017).

  • 179.

    (invited article) T. Zelovich, T. Hansen, Z.-F. Liu, J. B. Neaton, L. Kronik, and O. Hod, “Parameter Free Driven Liouville–von Neumann Approach for Time-Dependent Electronic Transport Simulations in Open Quantum Systems”, J. Chem. Phys. (Special Issue on Frontiers in Molecular Scale Electronics), 146, 092331 (2017).

  • 178.

    (invited article) Z.-F. Liu, D. A. Egger, S. Refaely-Abramson, L. Kronik, and J. B. Neaton, “Energy Level Alignment at Molecule-Metal Interfaces from an Optimally-Tuned Range-Separated Hybrid Functional”, J. Chem. Phys. (Special Issue on Frontiers in Molecular Scale Electronics), 146, 092326 (2017).

  • 177.

    L. Musbat, M. Nihamkin, Y. Toker, J. M. Dilger, D. R. Fuller, T. J. El-Baba, D. E. Clemmer, S. Sarkar, L. Kronik, A. Hirshfeld, N. Friedman, and M. Sheves, “Measurements of the Stabilities of Isolated Retinal Chromophores”, Phys. Rev. E 95, 012406 (2017).

  • 175.

    B. F. Garrett, I. Azuri, L. Kronik, and J. R. Chelikowsky, “Real-Space Pseudopotential Method for Computing the Vibrational Stark Effect”, J. Chem. Phys. 145, 174111 (2016).

  • 174.

    E. Meirzadeh, I. Azuri, Y. Qi, D. Ehre, A. M. Rappe, M. Lahav, L. Kronik, and I. Lubomirsky, “Origin and structure of polar domains in doped molecular crystals”, Nature Comm. 7, 13351 (2016).

  • 173.

    M. Sendner, P. K. Nayak, D. A. Egger, S. Beck, C. Müller, B. Epding, W. Kowalsky, L. Kronik, H. J. Snaith, A. Puccia, and R. Lovrinčić, “Optical Phonons in Methylammonium Lead Halide Perovskites and Implications for Charge Transport”, Materials Horizons 3, 613 (2016).

  • 171.

    C. Guo, X. Yu, S. Refaely-Abramson, L. Sepunaru, T. Bendikov, I. Pecht L. Kronik, A. Vilan, M. Sheves, and D. Cahen, “Tuning Electronic Transport via Hepta-Alanine Peptides Junction by Tryptophan Doping”, PNAS 113, 10785 (2016).

  • 169.

    R. T. Tung and L. Kronik, “Band offset formation at semiconductor heterojunctions through density-based minimization of interface energy”, Phys. Rev. B 94, 075310 (2016).

  • 168.

    J. Endres, D. A. Egger, M. Kulbak, R. A. Kerner, L. Zhao, S. H. Silver, G. Hodes, B. P. Rand, D. Cahen, L. Kronik, and A. Kahn, “Valence and conduction band densities of states of metal halide perovskites: a combined experimental - theoretical study”, J. Phys. Chem. Lett. 7, 2722 (2016).

  • 167.

    T. Zelovich, L. Kronik, and O. Hod, “The Driven Liouville von Neumann Approach for Time-Dependent Electronic Transport Calculations in a Non-Orthogonal Basis Set Representation”, J. Phys. Chem. C 120, 15052 (2016).

  • 166.

    I. Leven, T. Maaravi, I. Azuri, L. Kronik, and O. Hod, “Inter-Layer Potential for Graphene/h-BN Heterostructures”, J. Chem. Theo. Comp. 12, 2896 (2016).

  • 165.

    S. Dastidar, D. A. Egger, L. Z. Tan, S. B. Cromer, A. D. Dillon, S. Liu, L. Kronik, A. M. Rappe, and A. T. Fafarman, “High Chloride Doping Levels Stabilize the Perovskite Phase of Cesium Lead Iodide”, Nano Lett. 16, 3563 (2016).

  • 164.

    T. Rangel, K. Berland, S. Sharifzadeh, F. Altvater, K. Lee, P. Hyldgaard, L. Kronik, and J. B. Neaton, “Structural and excited-state properties of oligoacene crystals from first principles”, Phys. Rev. B 93, 115206 (2016).

  • 163.

    D. Rakhmilevitch, S. Sarkar, O. Bitton, L. Kronik, and O. Tal, “Enhanced magnetoresistance in molecular junctions by geometrical optimization of spin-selective orbital hybridization”, Nano Lett. 16, 1741 (2016).

  • 162.

    (invited paper) S. Sarkar and L. Kronik, “Ionization and (de-)protonation energies of gas-phase amino acids from an optimally tuned range-separated hybrid functional”, Mol. Phys. (Special Issue in Honor of Professor Andreas Savin) 114, 1218 (2016).

  • 161.

    Y. Li, P. Zolotavin, P. Doak, L. Kronik, J. B. Neaton, and D. Natelson, “Interplay of bias-driven charging and the vibrational Stark effect in molecular junctions”, Nano Lett. 16, 1104 (2016).

  • 160.

    M. Eckshtain-Levi, E. Capua, S. Refaely-Abramson, S. Sarkar, Y. Gavrilov, S. Mathew, Y. Paltiel, Y. Levy, L. Kronik, and R. Naaman, “Cold Denaturation induces inversion of dipole and spin transfer in chiral peptide monolayers”, Nature Comm. 7, 10744 (2016).

  • 159.

    A. Hirsch, D. Gur, I. Polishchuk, D. Levy, B. Pokroy, A. J. Cruz-Cabeza, L. Addadi, L. Kronik, and L. Leiserowitz, “‘Guanigma’: the revised structure of biogenic anhydrous guanine”, Chem. Mater. 27, 8289 (2015).

  • 158.

    T. M. Brenner, D. A. Egger, A. M. Rappe, L. Kronik, G. Hodes, and D. Cahen, “Are Mobilities in Hybrid Organic-Inorganic Halide Perovskites Actually ‘High’?”, J. Phys. Chem. Lett. 6, 4754 (2015).

  • 157.

    T. Zelovich, L. Kronik, and O. Hod, “Molecule-Lead Coupling at Molecular Junctions: Relation Between the Real- and State-Space Perspectives”, J. Chem. Theo. Comp. 11, 4861 (2015).

  • 156.

    E. Kraisler, T. Schmidt, S. Kümmel, and L. Kronik, “Effect of ensemble generalization on the highest-occupied Kohn-Sham eigenvalue”, J. Chem. Phys. 143, 104105 (2015).

  • 155.

    S. Refaely-Abramson, M. Jain, S. Sharifzadeh, J. B. Neaton, L. Kronik, “Solid-state optical absorption from optimally tuned time-dependent range-separated hybrid density functional theory”, Phys. Rev. B (Rapid Comm.) 92, 081204(R) (2015).

  • 154.

    I. Azuri, E. Meirzadeh, D. Ehre, S. R. Cohen, A. M. Rappe, M. Lahav, I. Lubomirsky, and L. Kronik, “Unusually large Young's moduli of amino-acid molecular crystals”, Angew. Chem. Int’l Ed. 54, 13566 (2015).

  • 153.

    L. Sepunaru, S. Refaely-Abramson, R. Lovrinčić, Y. Gavrilov, P. Agrawal, Y. Levy, L. Kronik, I. Pecht, M. Sheves, and D. Cahen, “Electronic Transport via Homo-peptides: The Role of Side Chains and Secondary Structure”, J. Am. Chem. Soc. 137, 9617 (2015). Highlighted in Phys.org.

  • 152.

    (invited paper) T. Toledano, R. Garrick, O. Sinai, T. Bendikov, A. Haj-Yahia, K. Lerman, H. Alon, C. Sukenik, A. Vilan, L. Kronik, D. Cahen, “Effect of binding group on hybridization across the silicon/aromatic-monolayer interface”, J. Electr. Spectr. Relat. Phenom. (Special Issue on Organic Electronics) 204, 149 (2015).

  • 151.

    D. A. Egger, L. Kronik, and A. M. Rappe, “Theory of Hydrogen Migration in Organic-Inorganic Halide Perovskites”, Angew. Chem. Int’l Ed. 54, 12437 (2015).

  • 149.

    D. A. Egger, Z.-F. Liu, J. B. Neaton, and L. Kronik, “Reliable Energy Level Alignment at Physisorbed Molecule-Metal Interfaces from Density Functional Theory”, Nano Lett. 15, 2448 (2015).

  • 148.

    E. Kraisler and L. Kronik, “Elimination of the asymptotic fractional dissociation problem in Kohn-Sham density functional theory using the ensemble-generalization approach”, Phys. Rev. A 91, 032504 (2015).

  • 147.

    O. Sinai, O. T. Hofmann, P. Rinke, M. Scheffler, G. Heimel, and L. Kronik, “Multi-scale approach to the electronic structure of doped semiconductor surfaces”, Phys. Rev. B 91, 075311 (2015). Selected as “Editor’s suggestion”.

  • 146.

    V. Vlček, H. Eisenberg, G. Steinle-Neumann, L. Kronik, and R. Baer, “Deviations from piecewise linearity in the solid-state limit with approximate density functionals”, J. Chem. Phys. 142, 034107 (2015).

  • 145.

    S. Sharifzadeh, C. Y. Wong, H. Wu, B. L. Cotts, L. Kronik, N. S. Ginsberg, and J. B. Neaton, “Relating the physical structure and optoelectronic function of crystalline TIPS-pentacene”, Adv. Funct. Mater. (Special Issue on Computational Modeling of Organic Semiconductors) 25, 2038 (2015).

  • 143.

    D. Lüftner, S. Refaely-Abramson, M. Pachler, R. Resel, M. G. Ramsey, L. Kronik, and P. Puschnig, “Experimental and theoretical electronic structure of quinacridone”, Phys. Rev. B 90, 075204 (2014).

  • 142.

    I. Tamblyn, S. Refaely-Abramson, J. B. Neaton, and L. Kronik, “Simultaneous determination of structures, vibrations, and frontier orbital energies from a self-consistent range-separated hybrid functional”, J. Phys. Chem. Lett. 5, 2734 (2014).

  • 141.

    D. A. Egger and L. Kronik, “Role of Dispersive Interactions in Determining Structural Properties of Organic-Inorganic Halide Perovskites: Insights from First Principles Calculations”, J. Phys. Chem. Lett. 5, 2728 (2014).

  • 140.

    B. Feldman, T. Seideman, O. Hod, L. Kronik, “Real-space method for highly parallelizable electronic transport calculations”, Phys. Rev. B 90, 035445 (2014).

  • 139.

    T. Zelovich, L. Kronik, O. Hod, “State Representation Approach for Atomistic Time-Dependent Transport Calculations in Molecular Junctions”, J. Chem. Theo. Comp. 10, 2927 (2014).

  • 137.

    R. Vardimon, T. Yelin, M. Klionsky, S. Sarkar, A. Biller, L. Kronik, O. Tal, “Probing the Orbital Origin of Conductance Oscillations in Atomic Chains”, Nano Lett. 14, 2988 (2014).

  • 136.

    A. Hirsch, I. Azuri, L. Addadi, S. Weiner, K. Yang, S. Curtarolo, L. Kronik, “Infrared Absorption Spectrum of Brushite from First Principles”, Chem. Mater. 26, 2934 (2014).

  • 135.

    (invited paper) E. Kraisler and L. Kronik, “Fundamental gaps with approximate density functionals: the derivative discontinuity revealed from ensemble considerations”, J. Chem. Phys. (Special issue on Density Functional Theory) 140, 18A540 (2014).

  • 134.

    D. A. Egger, S. Weismann, S. Refaely-Abramson, S. Sharifzadeh, M. Dauth, R. Baer, S. Kümmel, J. B. Neaton, E. Zojer, L. Kronik, “Outer-valence electron spectra of prototypical aromatic heterocycles from an optimally-tuned range-separated hybrid functional”, J. Chem. Theo. Comp. 10, 1934 (2014).

  • 133.

    T. Schmidt, E. Kraisler, L. Kronik, S. Kümmel, “One-electron self-interaction and the asymptotics of the Kohn-Sham potential: an impaired relation” Phys. Chem. Chem. Phys. 16, 14357 (2014).

  • 132.

    I. Leven, I. Azuri, L. Kronik, O. Hod, “Inter-layer Potential for Hexagonal Boron Nitride”, J. Chem. Phys. 140, 104106 (2014).

  • 131.

    (invited paper) T. Schmidt, E. Kraisler, A. Makmal, L. Kronik, S. Kümmel, “A self-interaction-free local hybrid functional: accurate binding energies vis-à-vis accurate ionization potentials from Kohn-Sham eigenvalues”, J. Chem. Phys. (Special issue on Density Functional Theory) 140, 18A510 (2014).

  • 130.

    Y. Li, P. Doak, L. Kronik, J, B. Neaton, D. Natelson, “Voltage tuning of vibrational mode energies in single-molecule junctions”, PNAS 111, 1282 (2014).

  • 129.

    I. Azuri, L. Adler-Abramovich, E. Gazit, O. Hod, L. Kronik, “Why are diphenylalanine-based peptide nanostructures so rigid? Insights from first principles calculations”, J. Am. Chem. Soc. 136, 963 (2014).

  • 127.

    O. Cohen, L. Kronik, and A. Brandt, “Locally Refined Multigrid Solution of the All-Electron Kohn-Sham Equation”, J. Chem. Theo. Comp. 9, 4744 (2013).

  • 126.

    O. Yaffe, S. Pujari, O. Sinai, A. Vilan, H. Zuilhof, A. Kahn, L. Kronik, H. Cohen and D. Cahen, “Effect of doping density on the charge rearrangement and interface dipole at the molecule-silicon interface”, J. Phys. Chem. C 117, 22422 (2013).

  • 125.

    O. Yaffe, T. Ely, R. Har-Lavan, D. Egger, S. Johnston, H. Cohen, L. Kronik, A. Vilan and D. Cahen, “Effect of Molecule-Surface Reaction Mechanism on the Electronic Characteristics and Photovoltaic Performance of Molecularly-Modified Si”, J. Phys. Chem. C 117, 22351 (2013).

  • 124.

    S. Refaely-Abramson, S. Sharifzadeh, M. Jain, R. Baer, J. B. Neaton, L. Kronik, “Gap renormalization of molecular crystals from density functional theory”, Phys. Rev. B (Rapid Comm.) 88, 081204 (2013).

  • 123.

    P. Agrawal, A. Tkatchenko, and L. Kronik, “Pair-wise and many-body dispersive interactions coupled to an optimally-tuned range-separated hybrid functional", J. Chem. Theo. Comp. 9, 3473 (2013).

  • 122.

    S. Sharifzadeh, P. Darancet, L. Kronik, and J. B. Neaton, “Low-Energy Charge-Transfer Excitons in Organic Solids from First-Principles: The Case of Pentacene”, J. Phys. Chem. Lett. 4, 2197 (2013).

  • 121.

    O. Sinai and L. Kronik, ”Simulated doping of Si from first principles using pseudo-atoms, Phys. Rev. B 87, 235305 (2013).

  • 120.

    A. Karolewski, L. Kronik, and S. Kümmel “Using optimally-tuned range separated hybrid functionals in ground-state calculations: consequences and caveats”, J. Chem. Phys. 138, 204115 (2013).

  • 119.

    T. Yelin, R. Vardimon, N. Kuritz, R. Korytár, A. Bagrets, F. Evers, L. Kronik and O. Tal, “Atomically wired molecular junctions: Connecting a single organic molecule by chains of metal atoms”, Nano. Lett. 13, 1956 (2013).

  • 118.

    E. Kraisler and L. Kronik, “Piecewise linearity of approximate density functionals revisited: Implications for frontier orbital energies”, Phys. Rev. Lett. 110, 126403 (2013).

  • 117.

    E. Salomon, P. Amsalem, N. Marom, M. Vondracek, L. Kronik, N. Koch, and T. Angot, “Electronic structure of CoPc adsorbed on Ag(100): evidence for molecule-substrate interaction mediated by Co 3d orbitals", Phys. Rev. B 87, 075407 (2013).

  • 115.

    T. Stein, J. Autschbach, N. Govind, L. Kronik and R. Baer, “Curvature and Frontier Orbital Energies in Density Functional Theory”, J. Phys. Chem. Lett. 3, 3740 (2012).

  • 114.

    S. Refaely-Abramson, S. Sharifzadeh, N, Govind, J. Autschbach, J. B. Neaton, R. Baer and L. Kronik, “Quasiparticle spectra from a non-empirical optimally-tuned range-separated hybrid density functional”, Phys. Rev. Lett. 109, 226405 (2012).

  • 113.

    F. Rissner, A. Natan, D. A. Egger, O. T. Hofmann. L. Kronik and E. Zojer, “Dimensionality effects in the electronic structure of organic semiconductors consisting of polar repeat units”, Org. Electr. 13, 3165 (2012).

  • 111.

    R. Viswanatha, D. Naveh, J. R. Chelikowsky, L. Kronik and D. D. Sarma, “Magnetic properties of Fe/Cu co-doped ZnO Nanocrystals”, J. Phys. Chem. Lett. 3, 2009 (2012).

  • 110.

    S. Sharifzadeh, A. Biller, L. Kronik and J. B. Neaton, “Quasiparticle and optical spectroscopy of the organic semiconductors pentacene and PTCDA from first principles”, Phys. Rev. B 85, 125307 (2012).

  • 109.

    O. Yaffe, Y. Qi, L. Scheres, S. R. Puniredd, L. Segev, T. Ely, H. Haick, H. Zuilhof,A. Vilan, L. Kronik, A. Kahn, and D. Cahen, “Charge transport across metal/molecular (alkyl) monolayer-Si junctions is dominated by the LUMO level”, Phys. Rev. B 85, 045433 (2012).

  • 108.

    T. Aqua, H. Cohen, O. Sinai, V. Frydman, T. Bendikov, D. Krepel, O. Hod, L. Kronik and R. Naaman, “Role of backbone charge rearrangement in the bond-dipole and work function of molecular monolayers”, J. Phys. Chem. C 115, 24888 (2011).

  • 107.

    N. Marom, A. Tkatchenko, M. Rossi, V. Gobre, O. Hod, M. Scheffler and L. Kronik, “Dispersion interactions with density-functional theory: benchmarking semiempirical and interatomic pairwise corrected density functionals‏”, J. Chem. Theo. Comp. 7, 3944 (2011).

  • 106.

    N. Marom, X. Ren, J. E. Moussa, J. R. Chelikowsky and L. Kronik, “Electronic Structure of Copper Phthalocyanine from G0W0 Calculations”, Phys. Rev. B 84, 195143 (2011).

  • 105.

    F. Rissner, D. A. Egger, A. Natan, T. Körzdörfer, S. Kümmel, L. Kronik, and E. Zojer, “Collectively Induced Quantum-Confined Stark Effect in Monolayers of Molecules Consisting of Polar Repeating Units”, J. Am. Chem. Soc. 133, 18634 (2011).

  • 104.

    A. Biller, I. Tamblyn, J. B. Neaton and L. Kronik, “Electronic level alignment at a metal-molecule interface from a short-range hybrid functional”, J. Chem. Phys. 135, 164706 (2011).

  • 103.

    S. Refaely-Abramson, R. Baer and L. Kronik, "Fundamental and excitation gaps in molecules of relevance for organic photovoltaics from an optimally tuned range-separated hybrid functional”, Phys. Rev. B 84, 075144 (2011). Selected as “Editor’s suggestion”.

  • 102.

    N. Kuritz, T. Stein , R. Baer and L. Kronik, "Charge-transfer-like π → π* excitations in time-dependent density functional theory: a conundrum and its solution", J. of Chem. Theory and Comp. 7, 2408 (2011).

  • 101.

    N. Marom, A. Tkatchenko, S. Kapishnikov, L. Kronik and L. Leiserowitz, "Structure and Formation of Synthetic Hemozoin: Insights From First-Principles Calculations", Cryst. Growth & Design 11, 3332 (2011).

  • 100.

    A. Makmal, S. Kümmel, and L. Kronik, "Dissociation of diatomic molecules and the exact-exchange Kohn-Sham potential: the case of LiF", Phys. Rev. A 83, 062512 (2011).

  • 99.

    K. M. Poduska, L. Regev, E. Boaretto, L. Addadi, S. Weiner, L. Kronik, and S. C. Curtarolo, "Decoupling local disorder and optical effects in infrared spectra: differentiating between calcites with different origins", Adv. Mater. 23, 550 (2011).

  • 97.

    T. Stein, H. Eisenberg, L. Kronik, and R. Baer, "Fundamental gaps in finite systems from eigenvalues of a generalized Kohn-Sham method", Phys. Rev. Lett. 105, 266802 (2010).

  • 96.

    N. Marom, J. Bernstein, J. Garel, A. Tkatchenko, E. Joselevich, L. Kronik, and O. Hod, "Stacking and Registry Effects in Layered Materials: The Case of Hexagonal Boron Nitride", Phys. Rev. Lett. 105, 046801 (2010).

  • 95.

    A. Natan, N. Kuritz, and L. Kronik, "Polarizability, susceptibility, and dielectric constant of nano-scale molecular films: a microscopic view", Adv. Funct. Mater. 22, 2525 (2010).

  • 94.

    L. Kronik and N. Koch, "Electronic properties of organic-based Interfaces", Editorial article, MRS Bull. 35, 417 (2010).

  • 93.

    O. Yaffe, L. Scheres, L. Segev, A. Biller, I. Ron, E. Salomon, M. Giesbers, A. Kahn, L. Kronik, H. Zuilhof, A. Vilan, and D. Cahen, "Hg/Molecular Monolayer−Si Junctions: Electrical Interplay between Monolayer Properties and Semiconductor Doping Density", J. Phys. Chem. C 114, 10270 (2010).

  • 92.

    N. Marom, A. Tkatchenko, M. Scheffler, and L. Kronik, "Describing both dispersion interactions and electronic structure using density functional theory: the case of metal-phthalocyanine dimers", J. Chem. Theo. Comp. 6, 81 (2010).

  • 91.

    T. Stein, L. Kronik, and R. Baer, "Prediction of charge-transfer excitations in coumarin-based dyes using a range-separated functional tuned from first principles", J. Chem. Phys. 131, 244119 (2009).

  • 90.

    E. Capua, A. Natan, L. Kronik, and R. Naaman, "The Molecularly Controlled Semiconductor Resistor: How does it work?", ACS Appl. Mater. Interfaces 1, 2679 (2009).

  • 89.

    B. D. Schultz, N. Marom, D. Naveh, X. Lou, C. Adelmann, J. Strand, P. A. Crowell, L. Kronik, and C. J. Palmstrom, "Spin injection across the Fe/GaAs interface: Role of interfacial ordering", Phys. Rev. B. (Rapid Comm.) 80, 201309 (2009).

  • 88.

    A. Makmal, R. Armiento, E. Engel, L. Kronik, and S. Kümmel, "Examining the Role of Pseudopotentials in Exact-Exchange-Based Kohn-Sham Gaps", Phys. Rev. B. (Rapid Comm.) 80, 161204 (2009).

  • 87.

    A. Makmal, S. Kümmel, and L. Kronik, "Fully numerical all-electron solutions of the optimized effective potential equation for diatomic molecules", J. Chem. Theo. Comp. 5, 1731 (2009).

  • 86.

    A. Landau, L. Kronik, and A. Nitzan, "Cooperative effects in molecular conduction II: The semiconductor-metal-molecular junction", J. Phys. Chem. A 5, 535 (2009).

  • 85.

    T. Körzdörfer, S. Kümmel, N. Marom, and L. Kronik, "When to trust photoelectron spectra from Kohn-Sham eigenvalues: the case of organic semiconductors", Phys. Rev. B (Rapid Comm.) 79, 201205 (2009).

  • 84.

    T. Stein, L. Kronik, and R. Baer, "Reliable Prediction of Charge Transfer Excitations in Molecular Complexes Using Time-Dependent Density Functional Theory", J. Am. Chem. Soc. (Communications) 131, 2818 (2009).

  • 83.

    (invited paper) N. Marom and L. Kronik, "Density Functional Theory of Transition Metal Phthalocyanines. II: Electronic Structure of MnPc and FePc - Symmetry and Symmetry Breaking", Appl. Phys. A 95, 165 (2009). (Special Issue on Organic Materials for Electronic Applications)

  • 82.

    (invited paper) N. Marom and L. Kronik, "Density Functional Theory of Transition Metal Phthalocyanines. I: Electronic Structure of NiPc and CoPc- Self-Interaction Effects", Appl. Phys. A 95, 159 (2009). (Special Issue on Organic Materials for Electronic Applications).

  • 81.

    D. Naveh and L. Kronik, "Real-Space Pseudopotential method for Noncollinear Magnetism within Density Functional Theory", Solid State Comm. 149, 177 (2009).

  • 80.

    T. Levy Nahum, R. Mamlok-Naaman, A. Hofstein, and L. Kronik, "A new 'bottom-up' framework for teaching chemical bonding", J. Chem. Ed. 85, 1680 (2008).

  • 79.

    A. Natan, A. Benjamini, D. Naveh, L. Kronik, M. L. Tiago, S. P. Beckman, and J. R. Chelikowsky, "Real-space pseudopotential method for first principles calculations of general periodic and partially periodic systems", Phys. Rev. B 78, 075109 (2008).

  • 78.

    G. Diamant, E. Halahmi, L. Kronik, J. Levy, R. Naaman, and J. Roulston, "Integrated circuits based on nano-scale vacuum phototubes", Appl. Phys. Lett. 92, 262903 (2008).

  • 77.

    I. Magid, L. Burstein, O. Seitz, L. Segev, L. Kronik, and Y. Rosenwaks, "Electronic characterization of Si(100)-bound alkyl monolayers using Kelvin probe force microscopy", J. Phys. Chem. C 112, 7145-7151 (2008).

  • 76.

    N. Marom, O. Hod, G. E. Scuseria, and L. Kronik, "Electronic Structure of Copper Phthalocyanine: a Comparative Density Functional Theory Study", J. Chem. Phys. 128, 164107 (2008).

  • 75.

    S. K. Sarkar, G. Hodes, L. Kronik, and H. Cohen, "Defect Dominated Charge Transport in Si-supported CdSe Nanoparticle Films", J. Phys. Chem. C 112, 6564-6570 (2008).

  • 74.

    A. Landau, L. Kronik, and A. Nitzan, "Cooperative effects in molecular conduction", J. Comp. Theo. Nanosci. 5, 535 (2008).

  • 72.

    V. Bonacic-Koutecky, C. Buergel, L. Kronik, A. E. Kuznetsov, and R. Mitric, "Optical Properties of Small Silver Clusters Supported at MgO", Eur. Phys. J. D. 45, 471 (2007).

  • 71.

    A. Sitt, L. Kronik, S. Ismail-Beigi, and J. R. Chelikowsky, "Excited state forces within time-dependent density functional theory: a frequency domain approach", Phys. Rev. A 76, 054501 (2007).

  • 70.

    D. Naveh, L. Kronik, M. L. Tiago, and J. R. Chelikowsky, "Real-Space Pseudopotential method for Spin-Orbit Coupling within Density Functional Theory", Phys. Rev. B 76, 153407 (2007).

  • 68.

    J. C. Woicik, M. Yekutiel, E. J. Nelson, N. Jacobson, P. Pfalzer, M. Klemm, S. Horn, and L. Kronik, "Chemical Bonding and Many-Body Effects in Site-Specific x-Ray Photoelectron Spectra of Corundum V2O3", Phys. Rev. B 76, 165101 (2007).

  • 67.

    O. Guliamov, A. I. Frenkel, L. D. Menard, R. G. Nuzzo, and L. Kronik, "Tangential Ligand-Induced Strain in Icosahedral Au13", J. Am. Chem. Soc. (Comm.) 129, 10978 (2007).

  • 66.

    O. Guliamov, L. Kronik, and J. M. L. Martin, "Polarizability of small carbon cluster anions from first principles", J. Phys. Chem. A 111, 2028 (2007).

  • 65.

    D. Deutsch, A. Natan, Y. Shapira, and L. Kronik, "Electrostatic properties of adsorbed polar molecules: Opposite behavior of a single molecule and a molecular monolayer", J. Am. Chem. Soc. 129, 2989 (2007).

  • 64.

    R. Gueta, A. Natan, L. Addadi, S. Weiner, K. Refson, and L. Kronik, "Local atomic order and infrared spectra of biogenic calcite", Angew. Chemie Int'l Ed. 46, 291 (2007).

  • 63.

    F. Amy, C.K. Chan, W. Zhao, J. Hyung, M. Ono, T. Sueyoshi, S. Kera, G. Nesher, A. Salomon, L. Segev, O. Seitz, H. Shpaisman, A. Schöll, M. Haeming, D. Cahen, L. Kronik, N. Ueno, E. Umbach, and A. Kahn, "Radiation damage to alkyl chain monolayers on semiconductor substrates investigated by electron spectroscopy", J. Phys. Chem. B 110, 21826 (2006).

  • 62.

    L. Segev, A. Salomon, A. Natan, D. Cahen, L. Kronik, F. Amy, C. K. Chan, and A. Kahn, "Electronic structure of Si(111)-bound alkyl monolayers: theory and experiment", Phys. Rev. B 74, 165323 (2006).

  • 61.

    A. Natan, L. Kronik, and Y. Shapira, "Computing surface dipoles and potentials of self-assembled monolayers from first principles", Appl. Surf. Sci. 252, 7608 (2006).

  • 60.

    D. Naveh and L. Kronik, "Spin-polarized Electronic structure of Mn-IV-V2 chalcopyrites", Phys. Stat. Solidi (b) 243, 2159 (2006).

  • 58.

    N. Dori, M. Menon, L. Kilian, M. Sokolowski, L. Kronik, and E. Umbach, "Valence Electronic Structure of Gas Phase 3,4,9,10-perylene tetracarboxylic-acid-dianhydride : Experiment and Theory", Phys. Rev. B 73, 195208 (2006).

  • 57.

    A. Natan, Y. Zidon, Y. Shapira, and L. Kronik, "Cooperative effects and dipole formation at semiconductor and self-assembled-monolayer interfaces", Phys. Rev. B 73, 193310 (2006).

  • 56.

    S. Kümmel and L. Kronik, "Hyperpolarizabilities of molecular chains: a real space approach", Comput. Mater. Sci. 35, 321 (2006).

  • 55.

    O. Guliamov, L. Kronik, and K. A. Jackson, "Photoelectron spectroscopy as a structural probe of intermediate size clusters", J. Chem. Phys. 123, 204312 (2005).

  • 54.

    X. Huang, A. Makmal, J. R. Chelikowsky, and L. Kronik, "Size-dependent spintronic properties of dilute magnetic semiconductor nanocrystals", Phys. Rev. Lett. 94, 236801 (2005).

  • 53.

    G. Nesher, L. Kronik, and J. R. Chelikowsky, "Ab initio absorption spectra of Ge nanocrystals", Phys. Rev. B 71, 035344 (2005).

  • 52.

    S. Kümmel, L. Kronik, and J. P. Perdew, "Electrical response of molecular chains from density functional theory", Phys. Rev. Lett. 93, 213002 (2004).

  • 51.

    L. Kronik, M. Jain, and J. R. Chelikowsky, "Electronic structure and spin-polarization of MnGaP", Appl. Phys. Lett. 85, 2014 (2004).

  • 50.

    M. M. G. Alemany, M. Jain, J. R. Chelikowsky, and L. Kronik, "Real-space pseudopotential method for computing the electronic properties of periodic systems", Phys. Rev. B 69, 075101 (2004).

  • 47.

    W. R. Burdick, Y. Saad, L. Kronik, I. Vasiliev, M. Jain, and J. R. Chelikowsky, "Parallel Implementation of Time-Dependent Density Functional Theory", Computer Phys. Comm. 156, 22 (2003).

  • 45.

    L. Kronik, R. Fromherz, E. Ko, G. Ganteför, and J. R. Chelikowsky, "Photoemission spectra of deuterated silicon clusters: experiment and theory", Eur. Phys. J. D. 24, 33 (2003).

  • 44.

    M. C. Troparevsky, L. Kronik, and J. R. Chelikowsky, "Optical properties of CdSe quantum dots", J. Chem. Phys. 119, 2284 (2003).

  • 43.

    M. Muñoz, T. M. Holden, F. H. Pollak, M. Kahn, D. Ritter, L. Kronik, and G. M. Cohen, "Optical Constants of In0.53Ga0.47As: Experiment and Modeling", J. Appl. Phys. 92, 5878 (2002).

  • 42.

    L. Kronik, R. Fromherz, E. Ko, G. Ganteför, and J. R. Chelikowsky, "Highest electron affinity as a predictor of cluster anion structures", Nature Materials (inaugural issue) 1, 49 (2002).

  • 41.

    L. Kronik, M. Jain, and J. R. Chelikowsky, "Electronic structure and spin-polarization of MnxGa1-xN", Phys. Rev. B (Rapid Communications) 66, 041203 (2002).

  • 40.

    J. C. Woicik, E. J. Nelson, L. Kronik, M. Jain, J. R. Chelikowsky, E. Heskett, L. Berman, and M. Herman, "Hybridization and Bond-Orbital Components in Site-Specific X-Ray Photoelectron Spectra of Rutile TiO2", Phys. Rev. Lett. 89, 077401 (2002).

  • 39.

    M. C. Troparevsky, L. Kronik, and J. R. Chelikowsky "Ab initio absorption spectra of CdSe clusters", Phys. Rev. B 65, 033311 (2002).

  • 38.

    M. Jain, L. Kronik, J. R. Chelikowsky, and V. V. Godlevsky, "Electronic structure and spin polarization of Mn-containing dilute magnetic III-V semiconductors", Phys. Rev. B 64, 245205 (2001).

  • 37.

    L. Kronik, I. Vasiliev, M. Jain, and J. R. Chelikowsky, "Ab Initio structures and polarizabilities of sodium clusters", J. Chem. Phys. 115, 4322 (2001).

  • 36.

    M. Muñoz, F. H. Pollak, M. Kahn, D. Ritter, L. Kronik, and G. M. Cohen, "Burstein-Moss shift of n-doped In0.53Ga0.47As", Phys. Rev. B 63, 233302 (2001).

  • 35.

    J. C. Woicik, E. J. Nelson, T. Kendelewicz, P. Pianetta, M. Jain, L. Kronik, and J. R. Chelikowsky, "Partial density of occupied valence states by x-ray standing waves and high-resolution photoelectron spectroscopy", Phys. Rev. B 63 (rapid communications), 041403 (2001).

  • 33.

    L. Kronik, I. Vasiliev, and J. R. Chelikowsky, "Ab initio calculations for structure and temperature effects on the polarizabilities of Nan(n <~ 20) clusters", Phys. Rev. B 62, 9992 (2000).

  • 32.

    I. Shalish, L. Kronik, G. Segal, Y. Shapira, M. Eizenberg, and J. Salzman, "Yellow luminescence and Fermi level pinning in GaN layers", Appl. Phys. Lett. 77, 987 (2000).

  • 31.

    I. Shalish, L. Kronik, G. Segal, Y. Shapira, S. Zamir, B. Meyler, and J. Salzman, "Grain-boundary-controlled transport in GaN layers", Phys. Rev. B 61, 15573 (2000).

  • 30.

    J.-F. Guillemoles, L. Kronik, D. Cahen, U. Rau, and H.-W. Schock, "Stability issues of Cu(In,Ga)Se2-based solar cells", J. Phys. Chem. B 104, 4849 (2000).

  • 29.

    L. Kronik, U. Rau, J.-F. Guillemoles, D. Braunger, H.-W. Schock, and D. Cahen, "Interface redox engineering of Cu(In,Ga)Se2-based solar cells: oxygen, sodium,and chemical bath effects", Thin Solid Films 361-362, 353 (2000).

  • 28.

    R. Cohen, L. Kronik, A. Vilan, A. Shanzer, Y. Rosenwaks, and D. Cahen, "Frontier orbital model of semiconductor surface passivation: Dicarboxylic acids on n- and p-GaAs", Adv. Mater. 12, 33 (2000).

  • 26.

    R. Cohen, L. Kronik, A. Shanzer, D. Cahen, A. Liu, Y. Rosenwaks, J. Lorenz and A. B. Ellis, "Molecular Control over Semiconductor Surface Electronic Properties:  Dicarboxylic Acids on CdTe, CdSe, GaAs, and InP", J. Am. Chem. Soc. 121, 10545 (1999).

  • 25.

    D. Gal, Y. Mastai, G. Hodes, and L. Kronik, "Band gap determination of semiconductor powders via surface photovoltage spectroscopy", J. Appl. Phys. 86, 5573 (1999).

  • 24.

    S. Bastide, D. Gal, D. Cahen, and L. Kronik, "Surface Photovoltage Measurements in Liquids", Rev. Sci. Instrum. 70, 4032 (1999).

  • 23.

    J.-F. Guillemoles, U. Rau, L. Kronik, A. Jasenek, H.-W. Schock, and D. Cahen, "Cu(In,Ga)Se2 solar cells: Device stability based on chemical flexibility", Adv. Mater. 11, 957 (1999).

  • 22.

    U. Rau, D. Braunger, R. Herberholz, H.-W. Schock, J.-F. Guillemoles, L. Kronik, and D. Cahen, "Oxygenation and air-annealing effects on the electronic properties o Cu(In,Ga)Se2 films and devices", J. Appl. Phys. 86, 497 (1999).

  • 21.

    I. Shalish, L. Kronik, G. Segal, Y. Shapira, Y. Rosenwaks, U. Tisch, and J. Salzman, "Yellow luminescence and related deep levels in unintentionally doped GaN films", Phys. Rev. B 59, 9748 (1999).

  • 20.

    O. B. Aphek, L. Kronik, M. Leibovitch, and Y. Shapira, "Quantitative assessment of the photosaturation technique", Surf. Sci. 409, 485 (1998).

  • 19.

    L. Kronik, N. Ashkenasy, M. Leibovitch, E. Fefer, Y. Shapira, S. Gorer, and G. Hodes, "Surface states and photovoltaic effects at CdSe quantum dot films", J. Electrochem. Soc. 145, 1748 (1998).

  • 18.

    L. Kronik, D. Cahen, and H.-W. Schock, "Effects of sodium on Polycrystalline Cu (In, Ga) Se2 and Its Solar Cell Performance", Adv. Mater. 10, 31 (1998).

  • 17.

    L. Kronik, B. Mishori, E. Fefer, Y. Shapira, and W. Riedl, "Quality control and characterization of Cu(In,Ga)Se2-based thin film solar cells by surface photovoltage spectroscopy", Solar En. Mater. Sol. Cells. 51, 21 (1998).

  • 16.

    E. Halahmi, O. Levi, L. Kronik, and R. L. Boxman, "Development of latent fingerprints using a corona discharge", J. Forensic Sciences 42, 833 (1997).

  • 15.

    E. Fefer, L. Kronik, M. Leibovitch, Y, Shapira, and W. Riedl, "In-situ monitoring of surface chemistry and charge transfer at semiconductor surfaces", Appl. Surf. Sci. 104-105, 61 (1996).

  • 14.

    M. Leibovitch, L. Kronik, B. Mishori, Y. Shapira. C. M. Hanson, and A. R. Clawson, "Determining band offsets using surface photovoltage spectroscopy: The InP/In0.53Ga0.47As heterojunction", Appl. Phys. Lett. 69, 2587 (1996).

  • 13.

    M. Leibovitch, P. Ram, L. Malikova, F. H. Pollak, J. L. Freeouf, L. Kronik, B. Mishori, Y. Shapira, A. R. Clawson, and C. M. Hanson, "Reflection anisotropy spectroscopy, surface photovoltage spectroscopy, and contactless electroreflectance investigation of the InP/In0.53Ga0.47As(001) heterojunction system", J. Vac. Sci. Technol. B14, 3089 (1996).

  • 12.

    E. Moons, D. Gal, J. Beier, G. Hodes, D. Cahen, L. Kronik, L. Burstein, B. Mishori, Y. Shapira, D. Hariskos and H.-W. Schock, "Effect of air annealing on the electronic properties of CdS/Cu(In,Ga)Se2 solar cells", Solar En. Mater. Sol. Cells 43, 73 (1996).

  • 11.

    M. Leibovitch, L. Kronik, E. Fefer, L. Burstein, V. Korobov, and Y. Shapira, "Surface photovoltage spectroscopy of thin films", J. Appl. Phys. 79, 8549 (1996).

  • 10.

    E. Halahmi and L. Kronik, "Color corona discharge images", IEEE Trans. Plasma Sci. (special issue on "Images in plasma science") 24, 87 (1996).

  • 9.

    N. Bachrach-Ashkenasy, L. Kronik, Y. Shapira, Y. Roesnwaks, M. C. Hanna, M. Leibovitch, and P. Ram, "Surface photovoltage spectroscopy of quantum wells and superlattices", Appl. Phys. Lett. 68, 879 (1996).

  • 8.

    L. Kronik, L. Burstein, M. Leibovitch, Y. Shapira, D. Gal, E. Moons, J. Beier, G. Hodes, D. Cahen, D. Hariskos, R. Klenk, and H.-W. Schock, "Band diagram of the polycrystalline CdS/Cu(In,Ga)Se2 heterojunction", Appl. Phys. Lett. 67, 1405 (1995).

  • 7.

    L. Kronik, M. Leibovitch, E. Fefer, V. Korobov and Y. Shapira, "Electronic Characterization of Heterojunctions by Surface Potential Monitoring", J. Electron. Mater. 24, 893 (1995).

  • 6.

    L. Kronik, M. Leibovitch, E. Fefer, L. Burstein, and Y. Shapira, "Quantitative Surface Photovoltage Spectroscopy of Semiconductor Interfaces", J. Electron. Mater. 24, 379 (1995).

  • 5.

    M. Leibovitch, L. Kronik, E. Fefer, V. Korobov, and Y. Shapira, "Constructing band diagrams of semiconductor heterojunctions", Appl. Phys. Lett. 66, 457 (1995).

  • 4.

    M. Leibovitch, L. Kronik, E. Fefer, and Y. Shapira, "Distinction between surface and bulk states in surface-photovoltage spectroscopy", Phys. Rev. B 50, 1739 (1994).

  • 3.

    L. Kronik, G. Khermosh, M. Cohen, and S. Ruschin, "Effects of mirror jitter and loss modulation in Q switched lasers: A state space analysis", Appl. Opt. 33, 344 (1994).

  • 2.

    L. Kronik and Y. Shapira, "New approach to quantitative surface photovoltage spectroscopy analysis", J. Vac. Sci. Technol. A 11, 3081 (1993).

  • 1.

    L. Kronik, L. Burstein, Y. Shapira, and M. Oron, "Laser surface photovoltage spectroscopy: A new tool for the determination of surface state distributions", Appl. Phys. Lett. 63, 60 (1993).