| Recent advances in functionalized micro and mesoporous carbon materials: synthesis and applications MR Benzigar, SN Talapaneni, S Joseph, K Ramadass, G Singh, ... Chemical Society Reviews 47 (8), 2680-2721, 2018 | 902 | 2018 |
| Trends in formic acid decomposition on model transition metal surfaces: a density functional theory study JA Herron, J Scaranto, P Ferrin, S Li, M Mavrikakis Acs Catalysis 4 (12), 4434-4445, 2014 | 231 | 2014 |
| Facile synthesis of palladium right bipyramids and their use as seeds for overgrowth and as catalysts for formic acid oxidation X Xia, SI Choi, JA Herron, N Lu, J Scaranto, HC Peng, J Wang, ... Journal of the American Chemical Society 135 (42), 15706-15709, 2013 | 147 | 2013 |
| A comprehensive study of formic acid oxidation on palladium nanocrystals with different types of facets and twin defects SI Choi, JA Herron, J Scaranto, H Huang, Y Wang, X Xia, T Lv, J Park, ... ChemCatChem 7 (14), 2077-2084, 2015 | 132 | 2015 |
| A quantum-mechanical study of CO adsorbed on TiO2: A comparison of the Lewis acidity of the rutile (1 1 0) and the anatase (1 0 1) surfaces J Scaranto, S Giorgianni Journal of Molecular Structure: THEOCHEM 858 (1-3), 72-76, 2008 | 105 | 2008 |
| Controlled surface segregation leads to efficient coke‐resistant nickel/platinum bimetallic catalysts for the dry reforming of methane L Li, L Zhou, S Ould‐Chikh, DH Anjum, MB Kanoun, J Scaranto, ... ChemCatChem 7 (5), 819-829, 2015 | 100 | 2015 |
| Density functional theory studies of HCOOH decomposition on Pd (111) J Scaranto, M Mavrikakis Surface Science 650, 111-120, 2016 | 82 | 2016 |
| HCOOH decomposition on Pt (111): A DFT study J Scaranto, M Mavrikakis Surface Science 648, 201-211, 2016 | 68 | 2016 |
| On the structure sensitivity of formic acid decomposition on Cu catalysts S Li, J Scaranto, M Mavrikakis Topics in Catalysis 59, 1580-1588, 2016 | 58 | 2016 |
| An efficient method for computing the binding energy of an adsorbed molecule within a periodic approach. The application to vinyl fluoride at rutile TiO2 (1 1 0) surface J Scaranto, G Mallia, NM Harrison Computational Materials Science 50 (7), 2080-2086, 2011 | 54 | 2011 |
| Towards first-principles molecular design of liquid crystal-based chemoresponsive systems LT Roling, J Scaranto, JA Herron, H Yu, S Choi, NL Abbott, M Mavrikakis Nature communications 7 (1), 13338, 2016 | 49 | 2016 |
| Structure sensitivity of formic acid electrooxidation on transition metal surfaces: a first-principles study AO Elnabawy, JA Herron, J Scaranto, M Mavrikakis Journal of the Electrochemical Society 165 (15), J3109, 2018 | 47 | 2018 |
| A DFT study of CO adsorbed on clean and hydroxylated anatase TiO2 (001) surfaces J Scaranto, S Giorgianni Molecular Physics 107 (19), 1997-2003, 2009 | 37 | 2009 |
| A quantum-mechanical study of the vinyl fluoride adsorbed on the rutile TiO2 (1 1 0) surface J Scaranto, G Mallia, S Giorgianni, CM Zicovich-Wilson, B Civalleri, ... Surface science 600 (2), 305-317, 2006 | 32 | 2006 |
| Accurate determination of solvation free energies of neutral organic compounds from first principles L Pereyaslavets, G Kamath, O Butin, A Illarionov, M Olevanov, I Kurnikov, ... Nature communications 13 (1), 414, 2022 | 30 | 2022 |
| The Effect of Uranium Cations on the Redox Properties of CeO2 Within the Context of Hydrogen Production from Water J Scaranto, H Idriss Topics in Catalysis 58, 143-148, 2015 | 27 | 2015 |
| IR Spectroscopy and Quantum-Mechanical Studies of the Adsorption of CH2CClF on TiO2 J Scaranto, AP Charmet, S Giorgianni The Journal of Physical Chemistry C 112 (25), 9443-9447, 2008 | 24 | 2008 |
| Vinyl halides adsorbed on TiO2 surface: FTIR spectroscopy studies and ab initio calculations J Scaranto, AP Charmet, P Stoppa, S Giorgianni Journal of molecular structure 741 (1-3), 213-219, 2005 | 21 | 2005 |
| Influence of the OH groups of hydroxylated rutile (110) surface on the Lewis acidity: an investigation of CO adsorption by quantum-mechanical simulations J Scaranto, S Giorgianni Molecular Physics 106 (21-23), 2425-2430, 2008 | 20 | 2008 |
| DFT studies of bulk and surfaces of the electrocatalyst cobalt phosphide CoP2 J Scaranto, H Idriss Chemical Physics Letters 737, 100008, 2019 | 18 | 2019 |
