Sautet, Philippe

Biography

Philippe Sautet has studied at “Ecole Polytechnique” in Paris and defended his doctorate in Theoretical Chemistry at Orsay University (Paris XI) in 1989. He then entered CNRS at the Institute of Research on Catalysis in Lyon, where he developed and lead a group devoted to the applications of theoretical chemistry to heterogeneous catalysis. He spent a sabbatical at Berkeley University. After being the director of the laboratory of Chemistry at the ENS of Lyon for 8 years, he was director of the “Institut de Chimie de Lyon”, a cluster of chemistry laboratories in Lyon, from 2007 to 2015. Philippe Sautet is now Professor at the Chemical and Biomolecular Engineering department and at the Chemistry and Biochemistry department of UCLA

He has published over 300 scientific papers. The impact of his research is illustrated by more than 100 invited lectures at conferences and by a H factor of 61. He received several awards including the silver medal of CNRS in 2007, the Paul Pascal Prize of the French Academy of Science in 2008 and the Pierre Süe Grand Prize of the French Chemical Society in 2012. He was elected at the French Academy of Science in 2010. In addition France distinguished him as “Chevalier de l’Ordre National du Mérite” for his action in research and research organization and as “Chevalier de l’ordre des palmes académiques” for his teaching and action towards students. He is nominated in several councils or committees and is associate editor of ACS Catalysis, an international journal published by the American Chemical Society.
 

Research Interests

Professor Philippe Sautet’s research interests are in the theory of the electronic structure at the interface between a solid surface and molecules and the modeling of elementary steps of heterogeneous catalysis.  His work on the simulation of the atomic scale image of surfaces obtained with the scanning tunneling microscope brought him to international attention. He is worldwide recognized for his theoretical study at the molecular scale of catalysts and catalyzed reactions. He collaborates with several experimental groups in the field.
Research Web Site >>

Honors & Awards

  • Pierre Süe Grand Prize of the French Chemical Society  2012
  • Member of the French Academy of Sciences, 2010
  • Silver medal of the CNRS 2007
  • Descartes-Huygens prize 1998, awarded by the Royal Netherlands Academy of Arts and Sciences
  • Award of the Catalysis Division of the French Chemical Society 1993
  • Bronze medal of the CNRS 1991
  • Raymond Berr student research award of the École Polytechnique 1985

Representative Publications

[ Selected Recent Papers. For the full list, please visit here]

  • Lavroff, R. H.; Cummings, E.; Sawant, K.; Zhang, Z.; Sautet,* P.; Alexandrova,* A. N, “Cu-Supported ZnO under Conditions of CO2 Reduction to Methanol: Why 0.2 ML Coverage?”, J. Phys. Chem. Lett, 2024.
  • Yu Tang, George Yan, Shiran Zhang, Yuting Li, Luan Nguyen, Yasuhiro Iwasawa, Tomohiro Sakata, Christopher Andolina, Judith C. Yang, Philippe Sautet*, Franklin Feng Tao, “Turning on Low-Temperature Catalytic Conversion of Biomass Derivatives through Teaming Pd1 and Mo1 Single-Atom Sites”, J. Am. Chem. Soc, 2024.
  • An, H.; Ding, Y.; Sautet,* P.; Sun, G.; Yan, N, “Selective Reduction of Nitroarenes via Noncontact Hydrogenation”, J. Am. Chem. Soc, 2024.
  • Kümper, J.; Mürtz, S. D.; Guan, Y.; Kumari, S.; Hausoul, P. J. C.; Kurig, N.; Sautet,* P.; Palkovits, R, “Metallic Impurities in Electrolysis: Catalytic Effect of Pb Traces in Reductive Amination and Acetone Reduction”, Angew. Chem. Int. Ed, 2024.
  • Guan, Y.; Kümper, J.; Mürtz, S. D.; Kumari, S.; Hausoul, P. J. C.; Palkovits, R.; Sautet,* P, “Origin of copper dissolution under electrocatalytic reduction conditions involving amines”, Chem. Sci, 2024.
  • Yuan, X.; Cheng, D.; Liu, B.; Liang, K.; Liang, K.; Yu, J.; Mecklenburg, M.; Sautet,* P.; Li, Y, “Engineering battery corrosion films by tuning electrical double layer composition”, Joule, 2024.
  • Almisbaa, Z.; Sautet,* P, “Ba promoter effect on cobalt-catalyzed ammonia decomposition kinetics: A theoretical analysis”, J. Energy Chem, 2024.
  • Robert Michael Kowalski, Avishek Banerjee, Chudi Yue, Sara G. Gracia, Dongfang Cheng, Carlos G. Morales-Guio, Philippe Sautet*, “Electroreduction of Captured CO2 on Silver Catalysts: Influence of the Capture Agent and Proton Source”, J. Am. Chem. Soc, 2024.
  • Yang, Y.; Zhou, J.; Zhao, Z.; Sun, G.; Moniri, S.; Ophus, C.; Yang, Y.; Wei, Z.; Yuan, Y.; Zhu, C.; Liu, Y.; Sun, Q.; Jia, Q.; Heinz, H.; Ciston, J.; Ercius, P.; Sautet,* P.; Huang, Y.; Miao, J, “Atomic-scale identification of active sites of oxygen reduction nanocatalysts”, Nat. Catal, 2024
  • Bhimineni, S. H.; Ko, S.; Cornwell, C.; Xia, Y.; Tolbert,* S. H.; Luo, J.; Sautet,* P, “First Principles Study of Aluminum Doped Polycrystalline Silicon as a Potential Anode Candidate in Li-ion Batteries”, Adv. Energy Mater, 2024.
  • Zisheng Zhang, Winston Gee, Philippe Sautet*, and Anastassia N. Alexandrova*, “H and CO Co-Induced Roughening of Cu Surface in CO2 Electroreduction Conditions”, J. Am. Chem. Soc.,2024.
  • Shen, M.; Ji, L.; Cheng, D.; Wang, Z.; Xue, Q.; Feng, S.; Luo, Y.; Chen, S.; Wang, J.; Zheng, H.; Wang, X.; Sautet,* P.; Zhu, J,”Hierarchical design enables sufficient activated CO2 for efficient electrolysis of bicarbonate to CO”, Joule., 2024.
  • Bonney, M. J.; Tesvara, C.; Sautet,* P.; White, M. G, “Understanding the Decomposition of Dimethyl Methyl Phosphonate on Metal-Modified TiO2(110) Surfaces Using Ensembles of Product Configurations”, ACS Appl. Mater. Interfaces. 2024.
  • Tesvara, C.; Yousuf, M. R.; Albrahim, M.; Troya, D.; Shrotri, A.; Stavitski, E.; Karim, A. M.; Sautet,* P, “Unraveling the CO Oxidation Mechanism over Highly Dispersed Pt Single Atom on Anatase TiO2 (101)”, ACS Catal. 2024.
  • Poths, P.; Vargas, S.; Sautet,* P.; Alexandrova,* A. N, “Thermodynamic Equilibrium versus Kinetic Trapping: Thermalization of Cluster Catalyst Ensembles Can Extend Beyond Reaction Time Scales”, ACS Catal. 2024.
  • Fu, X.; Cheng, D.; Zhang, A.; Zhou, J.; Wang, S.; Zhao, X.; Chen, J.; Sautet,* P.; Huang, Y.; Duan,* X, “Ag-Ru interface for highly efficient hydrazine assisted water electrolysis”, Energy Environ. Sci. 2024.
  • Liu, R.; Wei, Z.; Peng, L.; Zhang, L.; Zohar, A.; Schoeppner, R.; Wang, P.; Wan, C.; Zhu, D.; Liu, H.; Wang, Z.; Tolbert,* S. H.; Dunn, B.; Huang, Y.; Sautet,* P.; Duan,* X, “Establishing reaction networks in the 16-electron sulfur reduction reaction”, Nature. 2024.
  • Cheng, D.; Alexandrova,* A. N.; Sautet,* P, “H-Induced Restructuring on Cu(111) Triggers CO Electroreduction in an Acidic Electrolyte”, J. Phys. Chem. Lett. 2024.
  • Hio Tong Ngan and Philippe Sautet*, “Tuning the Hydrogenation Selectivity of an Unsaturated Aldehyde via Single-Atom Alloy Catalysts”, J. Am. Chem. Soc.. 2024.
  • Feng, S.; Wang, X.; Cheng, D.; Luo, Y.; Shen, M.; Wang, J.; Zhao, W.; Fang, S.; Zheng, H.; Ji, L.; Zhang, X.; Xu, W.; Liang, Y.; Sautet,* P.; Zhu, J, “Stabilizing *CO2 Intermediates at the Acidic Interface using Molecularly Dispersed Cobalt Phthalocyanine as Catalysts for CO2 Reduction”, Angew. Chem. Int. Ed. 2024.
  • Foucher, A. C.; Ngan, H. T.; Shirman, T.; Filie, A.; Duanmu, K.; Aizenberg, M.; Madix, R. J.; Friend, C. M.; Aizenberg, J.; Sautet,* P.; Stach, E. A, “Influence of Pd Concentration in Au-Pd Nanoparticles for the Hydrogenation of Alkynes”, ACS Appl. Nano Mater. 2023.
  • Kumari, S.; Alexandrova,* A. N.; Sautet,* P., “Nature of Zirconia on a Copper Inverse Catalyst Under CO2 Hydrogenation Conditions”, J. Am. Chem. Soc. 2023.
  • Giyeong Son, Yichen Li, Anna V. Shneidman, Jae Hyo Han, Michael Aizenberg, Philippe Sautet*, and Joanna Aizenberg, “Facet-Dependence of Electron Storage in Gold-Decorated Titania Nanocrystals”, Chem. Mater. 2023.
  • Chen, H.; Falling, L. J.; Kersell, H.; Yan, G.; Zhao, X.; Oliver-Meseguer, J.; Jaugstetter, M.; Nemsak, S.; Hunt, A.; Waluyo, I.; Ogasawara, H.; Bell, A. T.; Sautet,* P.; Salmeron, M, “Elucidating the active phases of CoOx films on Au(111) in the CO oxidation reaction”, Nat. Commun. 2023.
  • Selina Kaiser, Jessi van der Hoeven, George Yan, Kang Rui Garrick Lim, Hio Tong Ngan, Sadhya Garg, Mustafa Karatok, Michael Aizenberg, Joanna Aizenberg, Philippe Sautet*, Cynthia Friend, and Robert Madix, “Identifying the Optimal Pd Ensemble Size in Dilute PdAu Alloy Nanomaterials for Benzaldehyde Hydrogenation”, ACS Catal. 2023.
  • Shi, J.; Ngan, H. T.; Sautet,* P.; Weaver, J. F, “High Selectivity and Activity of Ti-Cu(111) Dilute Alloys for the Deoxygenation of Ethanol to Ethylene”, ACS Catal. 2023.
  • Wei, Z.; Yan, G.; Sautet,* P, “Toward more accurate surface properties of ceria using many-body perturbation theory”, J. Chem. Phys. 2023.
  • Li, Y.; Cheng, D.; Wei, Z.; Sautet,* P, “Photoelectron Storage at the WO3/TiO2 Interface: Modeling in Ambient Conditions from First-Principles Calculations”, ACS Catal. 2023.
  • Shen, K.; Cheng, D.; Reyes-Lopez, E.; Jang, J.; Sautet,* P.; Morales-Guio, C. G, “On the origin of carbon sources in the electrochemical upgrade of CO2 from carbon capture solutions”, Joule. 2023.
  • Almisbaa, Z.; Aljama, H. A.; Almajnouni, K.; Cavallo, L.; Sautet,* P, “Acetylene Semi-Hydrogenation on Intermetallic Ni-In Catalysts: Ni Ensemble and Acetylene Coverage Effects from a Theoretical Analysis”, ACS Catal. 2023.
  • C. Tesvara, C.; Karwacki, C. J.; Sautet,* P, “Decomposition of the Toxic Nerve Agent Sarin on Oxygen Vacancy Sites of Rutile TiO2(110)”, J. Phys. Chem. 2023.
  • Lavroff, R. H.; Wang, J.; White, M. G.; Sautet,* P.; Alexandrova,* A. N, “Mechanism of Stoichiometrically Governed Titanium Oxide Brownian Tree Formation on Stepped Au(111)”, J. Phys. Chem. C. 2023.
  • Sackers, N. M.; Iemhoff, A.; Sautet,* P.; Palkovits, R, “Understanding the structure of isolated iridium sites anchored on a covalent triazine framework”, Catal. Sci. Technol. 2023.
  • Bothra, P.; Stieg, A. Z.; Gimzewski,* J. K.; Sautet,* P, “Controlled Vertical Transfer of Individual Au Atoms Using a Surface Supported Carbon Radical for Atomically Precise Manufacturing”, Precis. Chem. 2023.
  • Sackers, N. M.; Nikodemus, J.; Palkovits, R.; Sautet,* P.; Hausoul, P. J. C, “Ru-Catalyzed Hydrogenolysis of Methanol: A Computational and Kinetics Study”, ChemCatChem. 2023.
  • Fu, X.; Cheng, D.; Wan, C.; Kumari, S.; Zhang, H.; Zhang, A.; Huyan, H.; Zhou, J.; Ren, H.; Wang, S.; Zhao, Z.; Zhao, X.; Chen, J.; Pan, X.; Sautet,* P.; Huang, Y.; Duan,* X, “Bifunctional Ultrathin RhRu 0.5 ‐Alloy Nanowire Electrocatalysts for Hydrazine‐Assisted Water Splitting”, Adv. Mater. 2023.
  • Shen, K.; Kumari, S.; Huang, Y.-C.; Jang, J.; Sautet,* P.; Morales-Guio, C. G, “Electrochemical Oxidation of Methane to Methanol on Electrodeposited Transition Metal Oxides”, J. Am. Chem. Soc.. 2023.
  • Zhang, Z.; Masubuchi, T.; Sautet,* P.; Anderson, S. L.; Alexandrova,* A. N, “Hydrogen Evolution on Electrode‐Supported Pt n Clusters: Ensemble of Hydride States Governs the Size Dependent Reactivity”, Angew. Chem. Int. Ed. 2023.
  • Dongfang Cheng, Ziyang Wei, Zisheng Zhang, Peter Broekmann, Anastassia N. Alexandrova*, Philippe Sautet*, “Restructuring and Activation of Cu(111) under Electrocatalytic Reduction Conditions”, Angew. Chem. Int. Ed. 2023.
  • Patel, D. A.; Giannakakis, G.; Yan, G.; Ngan, H. T.; Yu, P.; Hannagan, R. T.; Kress, P. L.; Shan, J.; Deshlahra, P.; Sautet,* P.; Sykes, E. C. H, “Mechanistic Insights into Nonoxidative Ethanol Dehydrogenation on NiCu Single-Atom Alloys”, ACS Catal.. 2023.
  • van der Hoeven, J. E. S.; Ngan, H. T.; Yan, G.; Aizenberg, J.; Madix, R. J.; Sautet,* P.; Friend, C. M, “Unraveling 1-Hexene Hydrogenation over Dilute Pd-in-Au Alloys (J. Phys. Chem. C (2022) 126:37 (15710−15723) DOI: 10.1021/acs.jpcc.2c04982)”, J. Phys. Chem. C 2023.
  • Kumari, S.; Sautet,* P, “Elucidation of the Active Site for the Oxygen Evolution Reaction on a Single Pt Atom Supported on Indium Tin Oxide”, J. Phys. Chem. Lett.. 2023.
  • Kumari, S.; Masubuchi, T.; White, H. S.; Alexandrova,* A.; Anderson, S. L.; Sautet,* P, “Electrocatalytic Hydrogen Evolution at Full Atomic Utilization over ITO-Supported Sub-nano-Ptn Clusters: High, Size-Dependent Activity Controlled by Fluxional Pt Hydride Species”, J. Am. Chem. Soc.. 2023.
  • Zisheng Zhang, Ziyang Wei, Philippe Sautet*, and Anastassia N. Alexandrova*, “Hydrogen-Induced Restructuring of a Cu(100) Electrode in Electroreduction Conditions”, J. Am. Chem. Soc, 2022.
  • Jessi E. S. van der Hoeven, Hio Tong Ngan, George Yan, Joanna Aizenberg, Robert J. Madix, Philippe Sautet*, and Cynthia M. Friend, “Unraveling 1-Hexene Hydrogenation over Dilute Pd-in-Au Alloys”, J. Phys. Chem, 2022. 
  • Eri Muramoto, Dipna A. Patel, Wei Chen, Philippe Sautet*, E. Charles H. Sykes, and Robert J. Madix, “Direct Observation of Solvent–Reaction Intermediate Interactions in Heterogeneously Catalyzed Alcohol Coupling”, J. Am. Chem. Soc, 2022.
  • Celine Tesvara, Constantin Walentab, and Philippe Sautet*, “Oxidative Decomposition of Dimethyl Methylphosphonate on Rutile TiO2(110): The Role of Oxygen Vacancies”, Phys. Chem. Chem. Phys, 2022.
  • Jennifer D. Lee, Zhen Qi, Alexandre C. Foucher, Hio Tong Ngan, Kevin Dennis, Jun Cui, Ilia I. Sadykov, Ethan J. Crumlin, Philippe Sautet*, Eric A. Stach, Cynthia M. Friend, Robert J. Madix, and Juergen Biener, “Facilitating Hydrogen Dissociation over Dilute Nanoporous Ti–Cu Catalysts”, J. Am. Chem. Soc, 2022.
  • Chen Zhou, Hio Tong Ngan, Jin Soo Lim, Zubin Darbari, Adrian Lewandowski, Dario J Stacchiola, Boris Kozinsky, Philippe Sautet, Jorge Anibal Boscoboinik, “Dynamical Study of Adsorbate-Induced Restructuring Kinetics in Bimetallic Catalysts Using the PdAu (111) Model System”, Journal of the American Chemical Society, 2022.
  • Z Wei, P Sautet, “Improving the Accuracy of Modelling CO2 Electroreduction on Copper Using Many-Body Perturbation Theory”, Angewandte Chemie, 2022.
  • Jennifer D Lee, Zhen Qi, Alexandre C Foucher, Hio Tong Ngan, Kevin Dennis, Jun Cui, Ilia I Sadykov, Ethan J Crumlin, Philippe Sautet, Eric A Stach, Cynthia M Friend, Robert J Madix, Juergen Biener, “Facilitating Hydrogen Dissociation over Dilute Nanoporous Ti–Cu Catalysts”, Journal of the American Chemical Society, 2022.
  • Z Wei, F Goltl, SN Steinmann, P Sautet, “Modeling Electrochemical Processes with Grand Canonical Treatment of Many-Body Perturbation Theory”, The Journal of Physical Chemistry Letters, 2022, 13 (26), 6079-6084.
  • Jennifer D Lee, Jeffrey B Miller, Anna V Shneidman, Lixin Sun, Jason F Weaver, Joanna Aizenberg, Juergen Biener, J Anibal Boscoboinik, Alexandre C Foucher, Anatoly I Frenkel, Jessi ES van der Hoeven, Boris Kozinsky, Nicholas Marcella, Matthew M Montemore, Hio Tong Ngan, Christopher R O’Connor, Cameron J Owen, Dario J Stacchiola, Eric A Stach, Robert J Madix, Philippe Sautet, Cynthia M Friend, “Dilute Alloys Based on Au, Ag, or Cu for Efficient Catalysis: From Synthesis to Active Sites”, Chemical Reviews, 2022, 122 (9), 8758-8808.
  • Nicholas Marcella, Jin Soo Lim, Anna M Płonka, George Yan, Cameron J Owen, Jessi ES van der Hoeven, Alexandre C Foucher, Hio Tong Ngan, Steven B Torrisi, Nebojsa S Marinkovic, Eric A Stach, Jason F Weaver, Joanna Aizenberg, Philippe Sautet, Boris Kozinsky, Anatoly I Frenkel, “Decoding reactive structures in dilute alloy catalysts”, Nature Communications, 2022, 13 (1), 1-9.
  • George Yan, Yu Tang, Yuting Li, Yixiao Li, Luan Nguyen, Tomohiro Sakata, Kotaro Higashi, Franklin Feng Tao, Philippe Sautet, “Reaction product-driven restructuring and assisted stabilization of a highly dispersed Rh-on-ceria catalyst”, Nature Catalysis, 2022, 5 (2), 119-127.
  • Z Wei, P Sautet, “Revisiting the link between magnetic properties and chemisorption at graphene nanoribbon zigzag edge”, The Journal of Chemical Physics, 2022, 156 (4), 044706.
  • P Poths, G Sun, P Sautet, AN Alexandrova, “Interpreting the Operando X-ray Absorption Near-Edge Structure of Supported Cu and CuPd Clusters in Conditions of Oxidative Dehydrogenation of Propane: Dynamic Changes in Composition and Size”, The Journal of Physical Chemistry, 2022, C 126 (4), 1972-1981.
  • E Muramoto, W Chen, X Jia, CM Friend, P Sautet, RJ Madix, “Toward benchmarking theoretical computations of elementary rate constants on catalytic surfaces: formate decomposition on Au and Cu”, Chemical Science, 2022, 13 (3), 804-815.
  • H Guo, P Poths, P Sautet, AN Alexandrova, “Oxidation Dynamics of Supported Catalytic Cu Clusters: Coupling to Fluxionality”, ACS Catalysis, 2021, 12 (1), 818-827.
  • Georgios Giannakakis, Paul Kress, Kaining Duanmu, Hio Tong Ngan, George Yan, Adam S Hoffman, Zhen Qi, Antonios Trimpalis, Leelavathi Annamalai, Mengyao Ouyang, Jilei Liu, Nathaniel Eagan, Juergen Biener, Dimosthenis Sokaras, Maria Flytzani-Stephanopoulos, Simon R Bare, Philippe Sautet, E Charles H Sykes, “Mechanistic and electronic insights into a working NiAu single-atom alloy ethanol dehydrogenation catalyst”, Journal of the American Chemical Society, 2021, 143 (51), 21567-21579.
  • Z Wei, F Göltl, P Sautet, “Diffusion Barriers for Carbon Monoxide on the Cu (001) Surface Using Many-Body Perturbation Theory and Various Density Functionals”, Journal of chemical theory and computation, 2021, 17 (12), 7862-7872.
  • Alexis Sangnier, Eric Genty, Mathilde Iachella, Philippe Sautet, Pascal Raybaud, Mickael Matrat, Christophe Dujardin, Celine Chizallet, “Thermokinetic and Spectroscopic Mapping of Carbon Monoxide Adsorption on Highly Dispersed Pt/γ-Al2O3 “, ACS Catalysis, 2021, 11 (21), 13280-13293.
  • G Sun, P Sautet, “Active Site Fluxional Restructuring as a New Paradigm in Triggering Reaction Activity for Nanocluster Catalysis”, Accounts of Chemical Research, 2021, 54 (20), 3841-3849.
  • T Wang, J Sha, M Sabbe, P Sautet, M Pera-Titus, C Michel, “Identification of active catalysts for the acceptorless dehydrogenation of alcohols to carbonyls”, Nature Communications, 2021, 12 (1), 1-7.
  • Y Xia, P Sautet, “Thermodynamics of Atomic Layer Etching Chemistry on Copper and Nickel Surfaces from First Principles”, Chemistry of Materials, 2021, 33 (17), 6774-6786.
  • J Shi, CJ Owen, HT Ngan, S Qin, V Mehar, P Sautet, JF Weaver, “Formation of a Ti–Cu (111) single atom alloy: Structure and CO binding”, The Journal of Chemical Physics, 2021, 154 (23), 234703.
  • Jessi ES van der Hoeven, Hio Tong Ngan, Austin Taylor, Nathaniel M Eagan, Joanna Aizenberg, Philippe Sautet, Robert J Madix, Cynthia M Friend, “Entropic control of HD exchange rates over dilute Pd-in-Au alloy nanoparticle catalysts”, ACS Catalysis, 2021, 11 (12), 6971-6981.
  • Z Wei, SM Becwar, BF Chmelka, P Sautet, “Atomic environments in N-containing graphitic carbon probed by first-principles calculations and solid-state nuclear magnetic resonance”, The Journal of Physical Chemistry, 2021, 125 (16), 8779-8787.
  • Marine Ciantar, Thuat T Trinh, Carine Michel, Philippe Sautet, Caroline Mellot‐Draznieks, Carlos Nieto-Draghi, “Back Cover: Impact of Organic Templates on the Selective Formation of Zeolite Oligomers (Angew. Chem. Int. Ed. 13/2021)”, Angewandte Chemie International Edition, 2021, 60 (13), 7448-7448.
  • MJ Kolb, D Loffreda, P Sautet, F Calle-Vallejo, “Structure-sensitive scaling relations among carbon-containing species and their possible impact on CO2 electroreduction”, Journal of Catalysis, 2021, 395, 136-142.
  • MJ Hülsey, G Sun, P Sautet, N Yan, “Observing Single-Atom Catalytic Sites During Reactions with Electrospray Ionization Mass Spectrometry”, Angewandte Chemie International Edition, 2021, 60 (9), 4764-4773.
  • G Whang, Q Yan, D Li, Z Wei, D Butts, P Sautet, J Luo, B Dunn, “Avoiding dendrite formation by confining lithium deposition underneath Li–Sn coatings”, Journal of Materials Research, 2021, 36 (4), 797-811.
  • G Sun, JT Fuller III, AN Alexandrova, P Sautet, “Global activity search uncovers reaction induced concomitant catalyst restructuring for alkane dissociation on model Pt catalysts”, ACS Catalysis, 2021, 11 (3), 1877-1885.
  • V Sumaria, P Sautet, “CO organization at ambient pressure on stepped Pt surfaces: first principles modeling accelerated by neural networks”, Chemical Science, 2021, 12 (47), 15543-15555.
  • G Sun, P Sautet, “NanoCluster heterogeneous catalysts: Insights from theory”, Elsevier, 2021.
  • S Kumari, P Sautet, “Highly dispersed Pt atoms and clusters on hydroxylated indium tin oxide: a view from first-principles calculations”, Journal of Materials Chemistry, 2021, A 9 (28), 15724-15733.
  • STAG Melissen, T Le Bahers, P Sautet, SN Steinmann, “What does graphitic carbon nitride really look like?”, Physical Chemistry Chemical Physics, 2021, 23 (4), 2853-2859.
  • X Sang, Y Xia, P Sautet, JP Chang, “Atomic layer etching of metals with anisotropy, specificity, and selectivity (vol 38, 043005, 2020)”, JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A 39 (1).