Using NMR spectroscopy, the group develops research topics from spin dynamics and new experiments to the structures of photovoltaic perovskites. See below for some key recent publications.

Dye Sensitized Solid-State NMR Spectroscopy
- “Light-Induced 1H NMR Hyperpolarization in Solids at 9.4 and 21.1 T,” F. De Biasi, G. Karthikeyan, M. VisegrĂĄdi, M. Levien, M.A. Hope, P.J. Brown, M.R. Wasielewski, O. Ouari, L. Emsley, J. Am. Chem. Soc. 146, 19667 (2024)
- “Magic Angle Spinning Solid-State 13C Photochemically Induced Dynamic Nuclear Polarization by a Synthetic DonorâChromophoreâAcceptor System at 9.4 T,” F. De Biasi, M.A. Hope, Y. Qiu, P.J. Brown, M. VisegrĂĄdi, O. Ouari, M.R. Wasielewski, L. Emsley, J. Phys. Chem. Lett. 15, 5488 (2024)
- “Optically Enhanced Solid-State 1H NMR Spectroscopy,” F. De Biasi, M.A. Hope, C.E. Avalos, G. Karthikeyan, G. Casano, A. Mishra, S. Badoni, G. Stevanato, D.J. Kubicki, J. Milani, J.-P. Ansermet, A.J. Rossini, M. Lelli, O. Ouari, L. Emsley, J. Am. Chem. Soc. 145, 14874 (2023)
NMR Crystallography
- L. Emsley, “NMR Crystallography” Faraday Discuss. (2024)
- “Atomic-level structure determination of amorphous molecular solids by NMR,” M. Cordova, P. Moutzouri, S.O. Nilsson Lill, A. Cousen, M. Kearns, S.T. Norberg, A. Svensk Ankarberg, J. McCabe, A.C. Pinon, S. Schantz, L. Emsley, Nature Communications 14, 5138 (2023)
- “Chemical Shift-Dependent Interaction Maps in Molecular Solids,”M. Cordova, L. Emsley,  J. Am. Chem. Soc. 145, 16109 (2023)
- “A machine learning model of chemical shifts for chemically and structurally diverse molecular solids,” M. Cordova, E.A. Engel, A. Stefaniuk, F. Paruzzo, A. Hofstetter, M. Ceriotti, L. Emsley, J. Phys. Chem. C 126, 16710 (2022)
- M. Baias, J. N. Dumez, P. H. Svensson, S. Schantz, G. M. Day, L. Emsley, âDe Novo Determination of the Crystal Structure of a Large Drug Molecule by Crystal Structure Prediction-Based Powder NMR Crystallography.â J. Am. Chem. Soc. 135, 17501 (2013)
Dynamic Nuclear Polarisation Enhanced NMR Spectroscopy
- A. Venkatesh, G. Casano, R. Wei, Y. Rao, H. Lingua, H. Karoui, M. Yulikov, O. Ouari, L. Emsley, “Rational Design of Dinitroxide Polarizing Agents for Dynamic Nuclear Polarization to Enhance Overall NMR Sensitivity,” Angew. Chem. 136, e202317337 (2024)
- Y. Rao, F. De Biasi, R. Wei, C. CopĂ©ret, L. Emsley, âProbing Homogeneous Catalysts and Precatalysts in Solution by Exchange-Mediated Overhauser Dynamic Nuclear Polarization NMRâ J. Am. Chem. Soc. 146, 12587 (2024)
- N.A. Prisco, A.C. Pinon, L. Emsley, B.F. Chmelka, “Scaling analyses for hyperpolarization transfer across a spin-diffusion barrier and into bulk solid media,” Phys. Chem. Chem. Phys. 23, 1006 (2021)
- A. J. Rossini, A. Zagdoun, F. Hegner, M. Schwarzwalder, D. Gajan, C. Coperet, A. Lesage, L. Emsley, âDynamic Nuclear Polarization NMR Spectroscopy of Microcrystalline Solids.â J. Am. Chem. Soc. 134, 16899-16908 (2012)
- A. Lesage, M. Lelli, D. Gajan, M. A. Caporini, V. Vitzthum, P. Mieville, J. Alauzun, A. Roussey, C. Thieuleux, A. Mehdi, G. Bodenhausen, C. Coperet, L. Emsley, âSurface Enhanced NMR Spectroscopy by Dynamic Nuclear Polarization.â J. Am. Chem. Soc. 132, 15459-15461 (2010)
Spin Dynamics
- “Observation of 1H-1H J-couplings in fast magic-angle-spinning solid-state NMR spectroscopy,” D. Torodii, J.B. Holmes, K. Grohe, R. de Oliveira-Silva, S. Wegner, D. Sakellariou, L. Emsley, Nature Communications 15, 10799 (2024)
- “Maximizing Relayed 1H Hyperpolarization Transfer by Slow-Fast MAS NMR Spectroscopy,” S. Badoni, P. Berruyer, L. Niccoli, A. Lesage, L. Emsley, J. Phys. Chem. A (2024)
- “Twoâdimensional Pure Isotropic Proton Solid State NMR,” P. Moutzouri, M. Cordova, B. SimĂ”es de Almeida, D. Torodii, L. Emsley, Angew. Chem. Int. Ed. 62, e2023019633 (2023)
- “Fast remote correlation experiments for 1H homonuclear decoupling in solids,” P. Moutzouri, B.S. de Almeida, L. Emsley, J. Magn. Reson. 321, 106856 (2020)
- “Dynamic nuclear polarization enhancement of 200 at 21.15 T enabled by 65 kHz magic angle spinning,” P. Berruyer, S. BjörgvinsdĂłttir, A. Bertarello, G. Stevanato, Y. Rao, G. Karthikeyan, G. Casano, O. Ouari, M. Lelli, C. Reiter, F. Engelke, L. Emsley, J. Phys. Chem. Lett. 11, 8386 (2020)
Materials Science
- “A complete picture of cation dynamics in hybrid perovskite materials from solid-state NMR spectroscopy,” A. Mishra, M.A. Hope, M. Gratzel, L. Emsley, J. Am. Chem. Soc. 145, 978 (2022)
- “Atomic-level structure determination of amorphous molecular solids by NMR,” M. Cordova, P. Moutzouri, S.O. Nilsson Lill, A. Cousen, M. Kearns, S.T. Norberg, A. Svensk Ankarberg, J. McCabe, A.C. Pinon, S. Schantz, L. Emsley, Nature Communications 14, 5138 (2023)
- “Colloidal-ALD-grown hybrid shells nucleate via a ligandâprecursor complex,” O. Segura Lecina, M.A. Hope, A. Venkatesh, S. BjörgvinsdĂłttir, K. Rossi, A. Loiudice, L. Emsley, R. Buonsanti, J. Am. Chem. Soc. 144, 3998 (2022)
- “NMR spectroscopy probes microstructure, dynamics and doping of metal halide perovskites,” D.J. Kubicki, S.D. Stranks, C.P. Grey, L. Emsley, Nature Reviews Chemistry 5, 624 (2021)
- “The atomic-level structure of cementitious calcium aluminate silicate hydrate,” A. Kunhi Mohamed, P. Moutzouri, P. Berruyer, B.J. Walder, J. Siramanont, M. Harris, M. Negroni, S.C. Galmarini, S.C. Parker, K.L. Scrivener, L. Emsley, P. Bowen, J. Am. Chem. Soc. 142, 11060 (2020)
Machine Learning
- “Pure isotropic proton NMR spectra in solids using deep learning,” M. Cordova, P. Moutzouri, B. SimĂ”es de Almeida, D. Torodii, L. Emsley, Angew. Chem. Int. Ed. 62, e202216607 (2023)
- “A machine learning model of chemical shifts for chemically and structurally diverse molecular solids,” M. Cordova, E.A. Engel, A. Stefaniuk, F. Paruzzo, A. Hofstetter, M. Ceriotti, L. Emsley, J. Phys. Chem. C 126, 16710 (2022)
- “De Novo Crystal Structure Determination from Machine Learned Chemical Shifts,” M. Balodis, M. Cordova, A. Hofstetter, G.M. Day, L. Emsley, J. Am. Chem. Soc. 144, 7215 (2022)
- “Chemical shifts in molecular solids by machine learning,” F.M. Paruzzo, A. Hofstetter, F. Musil, S. De, M. Ceriotti, L. Emsley, Nature communications 9, 4501 (2018)
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Coworkers Around the World
Our work involves several collaborations at various moments with internationally renowned groups all over the world. For example, recent collaborators that have led to publications have included :
C. CopĂ©ret (ETH ZĂŒrich), M. GrĂ€tzel (EPFL), B.F. Chmelka (UCSB), K. Scrivener (EPFL), M. Blackledge (Grenoble), M. Ceriotti (EPFL), P.J. Grandinetti (Ohio-State), H. Oschkinat (Berlin), O. Ouari (Marseille), M. Kovalenko (ETH ZĂŒrich), M. Lelli (Florence), A. Lesage (Lyon).