Nuclear Magnetic Resonance (NMR) spectroscopy is typically used as an analytical tool for identifying the chemical composition of solution/liquid samples. Beyond providing the fingerprints of chemical compounds, NMR can also provide detailed insight on the structure and dynamics of materials (liquid and solids) at the molecular and atomic level. Furthermore, with NMR we can probe most of the elements in the periodic table.
Thus it is a very strong tool for investigating structure and function relations in material science. To do so we need some understanding of the physics of NMR: What are the interactions between the nuclear spins? How do they interact with their chemical environment? How do these interactions change when the nuclei move? By manipulating the nuclear spins using radio frequency pulses we can selectively probe different interactions and understand how materials work.
We are using advanced magnetic resonance techniques to characterize (mostly) solid functional materials. Our interest in how materials function motivates the development of new NMR tools designed to address specific challenging questions where NMR can provide unique insight. For our methodology development we use theory and experiments on model systems.
Some examples for methodology development:
- High resolution proton NMR in solids: Homonuclear Dipolar Decoupling at Magic-Angle Spinning Frequencies up to 65 kHz in Solid-State Nuclear Magnetic Resonance. Chemical Physics Letters (2008) 466:(1-3)95-99; A Broad-Banded z-Rotation Windowed Phase-Modulated Lee-Goldburg Pulse Sequence For 1H Spectroscopy in Solid-State NMR. Chemical Physics Letters (2007) 447:(4-6)370-374
- Heteronuclear decoupling: Bimodal Floquet Description of Heteronuclear Dipolar Decoupling in Solid-State Nuclear Magnetic Resonance. Journal of Chemical Physics (2007) 127:(2); Relative Merits of Rcwa and Xix Heteronuclear Spin Decoupling in Solid-State Magic-Angle-Spinning NMR Spectroscopy: a Bimodal Floquet Analysis. Journal of Magnetic Resonance (2016)
- Floquet theory for solid state NMR: Floquet Theory in Solid-State Nuclear Magnetic Resonance. Progress in Nuclear Magnetic Resonance Spectroscopy (2010) 57:(4)345-380.
- NMR on paramagnetic materials: Paramagnetic Electrodes and Bulk Magnetic Susceptibility Effects in the in Situ NMR Studies of Batteries: Application to Li1.08Mn1.92O4 Spinel. Journal of Magnetic Resonance (2013) 234:44-57; Probing Dynamic Processes in Lithium-Ion Batteries by in Situ NMR Spectroscopy: Application to Li1.08mn1.92o4 Electrodes. Angewandte Chemie (2015) 54:(49)14782; Finite Pulse Effects in Cpmg Pulse Trains on Paramagnetic Materials. Physical Chemistry Chemical Physics (2015) 17:22311-22320.