| Understanding the role of metal and molecular structure on the electrocatalytic hydrogenation of oxygenated organic compounds JA Lopez-Ruiz, E Andrews, SA Akhade, MS Lee, K Koh, U Sanyal, SF Yuk, ... ACS Catalysis 9 (11), 9964-9972, 2019 | 126 | 2019 |
| 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 (16), 9236-9260, 2020 | 92 | 2020 |
| Towards an accurate description of perovskite ferroelectrics: exchange and correlation effects SF Yuk, KC Pitike, SM Nakhmanson, M Eisenbach, YW Li, VR Cooper Scientific Reports 7, 43482, 2017 | 89 | 2017 |
| Understanding Heterolytic H2 Cleavage and Water-Assisted Hydrogen Spillover on Fe3O4 (001)-Supported Single Palladium Atoms N Doudin, SF Yuk, MD Marcinkowski, MT Nguyen, JC Liu, Y Wang, ... ACS Catalysis 9 (9), 7876-7887, 2019 | 79 | 2019 |
| 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 133 (1), 294-300, 2021 | 72 | 2021 |
| Low-Temperature Oxidation of Methanol to Formaldehyde on a Model Single-Atom Catalyst: Pd Atoms on Fe3O4(001) MD Marcinkowski, SF Yuk, N Doudin, RS Smith, MT Nguyen, BD Kay, ... ACS Catalysis 9 (12), 10977-10982, 2019 | 70 | 2019 |
| 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, ... Journal of the American Chemical Society 143 (14), 5540-5549, 2021 | 65 | 2021 |
| 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 (1), 12-37, 2022 | 64 | 2022 |
| Thermo-responsive protein adsorbing materials for purifying pharmaceutical protein on exposed charging surface K Nagase, SF Yuk, J Kobayashi, A Kikuchi, Y Akiyama, H Kanazawa, ... Journal of Materials Chemistry 21 (8), 2590-2593, 2011 | 54 | 2011 |
| Influence of Ag metal dispersion on the thermal conversion of ethanol to butadiene over Ag-ZrO2/SiO2 catalysts SA Akhade, A Winkelman, VL Dagle, L Kovarik, SF Yuk, MS Lee, J Zhang, ... Journal of Catalysis 386, 30-38, 2020 | 35 | 2020 |
| STM and DFT studies of CO2 adsorption on O-Cu (100) surface SJ Tjung, Q Zhang, JJ Repicky, SF Yuk, X Nie, NM Santagata, A Asthagiri, ... Surface Science 679, 50-55, 2019 | 22 | 2019 |
| First-principle investigation on catalytic hydrogenation of benzaldehyde over Pt-group metals SF Yuk, MS Lee, SA Akhade, MT Nguyen, VA Glezakou, R Rousseau Catalysis Today 388, 208-215, 2022 | 21 | 2022 |
| Tuning oxygen electrocatalysis via strain on LaNiO 3 (001) SF Yuk, VR Cooper Physical Chemistry Chemical Physics 21 (9), 4738-4745, 2019 | 20 | 2019 |
| Perspectives on van der Waals Density Functionals: The Case of TiS2 JT Krogel, SF Yuk, PRC Kent, VR Cooper The Journal of Physical Chemistry A 124 (47), 9867-9876, 2020 | 19 | 2020 |
| A first-principles study of Pt thin films on SrTiO3 (100): Support effects on CO adsorption SF Yuk, A Asthagiri The Journal of Chemical Physics 142 (12), 124704, 2015 | 17 | 2015 |
| Dynamic Copper Site Redispersion through Atom Trapping in Zeolite Defects SC Purdy, G Collinge, J Zhang, SN Borate, KA Unocic, Q Wu, ... Journal of the American Chemical Society 146 (12), 8280–8297, 2024 | 15 | 2024 |
| Mechanistic Understanding of Catalytic Conversion of Ethanol to 1-Butene over 2D-Pillared MFI Zeolite SF Yuk, MS Lee, G Collinge, J Zhang, AB Padmaperuma, Z Li, ... The Journal of Physical Chemistry C 124 (52), 28437–28447, 2020 | 15 | 2020 |
| Selective acetylene hydrogenation over single metal atoms supported on Fe3O4 (001): A first-principle study SF Yuk, G Collinge, MT Nguyen, MS Lee, VA Glezakou, R Rousseau The Journal of Chemical Physics 152 (15), 154703, 2020 | 13 | 2020 |
| Dynamically Formed Active Sites on Liquid Boron Oxide for Selective Oxidative Dehydrogenation of Propane J Tian, G Collinge, SF Yuk, J Lin, VA Glezakou, MS Lee, Y Wang, ... ACS Catalysis 13 (12), 8219–8236, 2023 | 10 | 2023 |
| Putting error bars on density functional theory SF Yuk, I Sargin, N Meyer, JT Krogel, SP Beckman, VR Cooper Scientific Reports 14, 20219, 2024 | 6 | 2024 |
Vassiliki-Alexandra (Vanda) GlezakouDistinguished Scientist, ORNLEmail yang diverifikasi di ornl.gov