| Electrocatalytic Hydrogenation of Biomass-Derived Organics: A Review SA Akhade, N Singh, OY Gutiérrez, J Lopez-Ruiz, H Wang, JD Holladay, ... Chemical Reviews 120, 11370–11419, 2020 | 296 | 2020 |
| CO Oxidation on Au/TiO2: condition-dependent active sites and mechanistic pathways YG Wang, DC Cantu, MS Lee, J Li, VA Glezakou, R Rousseau Journal of the American Chemical Society 138 (33), 10467–10476, 2016 | 192 | 2016 |
| Electronic structure and thermoelectric properties of Sb-based semiconducting half-Heusler compounds MS Lee, FP Poudeu, SD Mahanti Physical Review B—Condensed Matter and Materials Physics 83 (8), 085204, 2011 | 183 | 2011 |
| Genesis and Stability of Hydronium Ions in Zeolite Channels M Wang, NR Jaegers, MS Lee, C Wan, JZ Hu, H Shi, D Mei, SD Burton, ... Journal of American Chemical Society 141 (8), 3444-3455, 2019 | 158 | 2019 |
| Impeding 99Tc(IV) mobility in novel waste forms MS Lee, W Um, G Wang, AA Kruger, WW Lukens, R Rousseau, ... Nature Communications 7, 12067, 2016 | 137 | 2016 |
| High-pressure polymeric phases of carbon dioxide J Sun, DD Klug, R Martoňák, JA Montoya, MS Lee, S Scandolo, E Tosatti Proceedings of the National Academy of Sciences 106 (15), 6077-6081, 2009 | 131 | 2009 |
| Understanding the role of metal and molecular structure on the electrocatalytic hydrogenation of oxygenated organic compounds JA Lopez-Ruiz, EM Andrews, SA Akhade, MS Lee, K Koh, U Sanyal, ... ACS Catalysis 9, 9964-9972, 2019 | 124 | 2019 |
| Validity of the rigid band approximation in the study of the thermopower of narrow band gap semiconductors MS Lee, SD Mahanti Physical Review B 85 (16), 165149, 2012 | 123 | 2012 |
| Competitive sorption of CO2 and H2O in 2: 1 layer phyllosilicates HT Schaef, JS Loring, VA Glezakou, QRS Miller, J Chen, AT Owen, ... Geochimica et Cosmochimica Acta 161, 248-257, 2015 | 116 | 2015 |
| A Combined Experimental and Theoretical Study on the Activity and Selectivity of the Electrocatalytic Hydrogenation of Aldehydes DC Cantu, AB Padmaperuma, MT Nguyen, SA Akhade, Y Yoon, YG Wang, MS Lee, VA ... ACS Catalysis 8, 7645–7658, 2018 | 102 | 2018 |
| Anharmonicity and confinement in zeolites: structure, spectroscopy, and adsorption free energy of ethanol in H-ZSM-5 K Alexopoulos, MS Lee, Y Liu, Y Zhi, Y Liu, MF Reyniers, GB Marin, ... The Journal of Physical Chemistry C 120 (13), 7172-7182, 2016 | 101 | 2016 |
| Effect of Collective Dynamics and Anharmonicity on Entropy in Heterogenous Catalysis: Building the Case for Advanced Molecular Simulations G Collinge, SF Yuk, MT Nguyen, MS Lee, VA Glezakou, R Rousseau ACS Catalysis 10, 9236-9260, 2020 | 90 | 2020 |
| Nature of Hydrogen Adsorption on Platinum in the Aqueous Phase G Yang, SA Akhade, X Chen, Y Liu, MS Lee, VA Glezakou, R Rousseau, ... Angewandte Chemie International Edition 58 (11), 3527-3532, 2018 | 83 | 2018 |
| Electrochemically tunable proton coupled electron transfer in Pd-catalyzed benzaldehyde hydrogenation K Koh, U Sanyal, MS Lee, G Cheng, M Song, VA Glezakou, Y Liu, D Li, ... Angewandte Chemie International Edition 132, 1517-1521, 2019 | 77 | 2019 |
| Impact of pH on Aqueous-Phase Phenol Hydrogenation Catalyzed by Carbon-Supported Pt and Rh N Singh, MS Lee, SA Akhade, G Cheng, DM Camaioni, OY Gutiérrez, ... ACS Catalysis 9 (2), 1120-1128, 2018 | 76 | 2018 |
| Hydrogen bonding enhances the electrochemical hydrogenation of benzaldehyde in the aqueous phase U Sanyal, SF Yuk, K Koh, MS Lee, K Stoerzinger, D Zhang, LC Meyer, ... Angewandte Chemie International Edition 133 (1), 294-300, 2020 | 72 | 2020 |
| First-principles investigation of finite-temperature behavior in small sodium clusters MS Lee, S Chacko, DG Kanhere The Journal of chemical physics 123, 164310, 2005 | 71 | 2005 |
| Environment of Metal–O–Fe Bonds Enabling High Activity in CO2 Reduction on Single Metal Atoms and on Supported Nanoparticles Y Zhu, SF Yuk, J Zheng, MT Nguyen, MS Lee, J Szanyi, L Kovarik, Z Zhu, ... J. Am. Chem. Soc. 143 (14), 5540–5549, 2021 | 66 | 2021 |
| Effect of onsite Coulomb repulsion on thermoelectric properties of full-Heusler compounds with pseudogaps D Do, MS Lee, SD Mahanti Physical Review B—Condensed Matter and Materials Physics 84 (12), 125104, 2011 | 65 | 2011 |
| Ab initio molecular dynamics with enhanced sampling in heterogeneous catalysis GM Piccini, MS Lee, SF Yuk, D Zhang, G Collinge, L Kollias, MT Nguyen, ... Catalysis Science & Technology 12, 12-37, 2021 | 62 | 2021 |
Vassiliki-Alexandra (Vanda) GlezakouDistinguished Scientist, ORNLVerified email at ornl.gov