C–O bond activation using ultralow loading of noble metal catalysts on moderately reducible oxides J Fu, J Lym, W Zheng, K Alexopoulos, AV Mironenko, N Li, ... Nature Catalysis 3 (5), 446-453, 2020 | 143 | 2020 |
Theoretical approach to predict the stability of supported single-atom catalysts YQ Su, Y Wang, JX Liu, IAW Filot, K Alexopoulos, L Zhang, V Muravev, ... ACS Catalysis 9 (4), 3289-3297, 2019 | 106 | 2019 |
The role of CO2 in the dehydrogenation of propane over WOx–VOx/SiO2 I Ascoop, VV Galvita, K Alexopoulos, MF Reyniers, P Van Der Voort, ... Journal of catalysis 335, 1-10, 2016 | 104 | 2016 |
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 | 90 | 2016 |
Reaction path analysis of propane selective oxidation over V2O5 and V2O5/TiO2 K Alexopoulos, MF Reyniers, GB Marin Journal of catalysis 289, 127-139, 2012 | 88 | 2012 |
DFT-based microkinetic modeling of ethanol dehydration in H-ZSM-5 K Alexopoulos, M John, K Van der Borght, V Galvita, MF Reyniers, ... Journal of catalysis 339, 173-185, 2016 | 87 | 2016 |
Heterogeneously catalyzed esterification of FFAs in vegetable oils S Pasias, N Barakos, C Alexopoulos, N Papayannakos Chemical Engineering & Technology: Industrial Chemistry‐Plant Equipment …, 2006 | 87 | 2006 |
Reaction path analysis for 1-butanol dehydration in H-ZSM-5 zeolite: Ab initio and microkinetic modeling M John, K Alexopoulos, MF Reyniers, GB Marin Journal of catalysis 330, 28-45, 2015 | 86 | 2015 |
Programmable heating and quenching for efficient thermochemical synthesis Q Dong, Y Yao, S Cheng, K Alexopoulos, J Gao, S Srinivas, Y Wang, ... Nature 605 (7910), 470-476, 2022 | 84 | 2022 |
Insights into the Reaction Mechanism of Ethanol Conversion into Hydrocarbons on H‐ZSM‐5 K Van der Borght, R Batchu, VV Galvita, K Alexopoulos, MF Reyniers, ... Angewandte Chemie International Edition 55 (41), 12817-12821, 2016 | 62 | 2016 |
First-principles kinetic study on the effect of the zeolite framework on 1-butanol dehydration M John, K Alexopoulos, MF Reyniers, GB Marin ACS Catalysis 6 (7), 4081-4094, 2016 | 57 | 2016 |
Study of butanol conversion to butenes over H-ZSM-5: Effect of chemical structure on activity, selectivity and reaction pathways D Gunst, K Alexopoulos, K Van Der Borght, M John, V Galvita, ... Applied Catalysis A: General 539, 1-12, 2017 | 56 | 2017 |
Theoretical Study of the Effect of (001) TiO2 Anatase Support on V2O5 K Alexopoulos, P Hejduk, M Witko, MF Reyniers, GB Marin The Journal of Physical Chemistry C 114 (7), 3115-3130, 2010 | 53 | 2010 |
Stability of heterogeneous single-atom catalysts: a scaling law mapping thermodynamics to kinetics YQ Su, L Zhang, Y Wang, JX Liu, V Muravev, K Alexopoulos, IAW Filot, ... npj Computational Materials 6 (1), 144, 2020 | 48 | 2020 |
Molybdenum Oxide-Modified Iridium Catalysts for Selective Production of Renewable Oils for Jet and Diesel Fuels and Lubricants S Liu, W Zheng, J Fu, K Alexopoulos, B Saha, DG Vlachos ACS Catalysis 9 (9), 7679-7689, 2019 | 46 | 2019 |
Modulating the dynamics of Brønsted acid sites on PtWOx inverse catalyst J Fu, S Liu, W Zheng, R Huang, C Wang, A Lawal, K Alexopoulos, S Liu, ... Nature Catalysis 5 (2), 144-153, 2022 | 45 | 2022 |
Mechanistic insights into the formation of butene isomers from 1-butanol in H-ZSM-5: DFT based microkinetic modelling M John, K Alexopoulos, MF Reyniers, GB Marin Catalysis Science & Technology 7 (5), 1055-1072, 2017 | 45 | 2017 |
First-principles kinetic and spectroscopic insights into single-atom catalysis K Alexopoulos, Y Wang, DG Vlachos ACS Catalysis 9 (6), 5002-5010, 2019 | 39 | 2019 |
Effect of zeolite confinement on the conversion of 1-butanol to butene isomers: mechanistic insights from DFT based microkinetic modelling M John, K Alexopoulos, MF Reyniers, GB Marin Catalysis Science & Technology 7 (14), 2978-2997, 2017 | 37 | 2017 |
DFT investigation into alumina ALD growth inhibition on hydroxylated amorphous silica surface AS Sandupatla, K Alexopoulos, MF Reyniers, GB Marin The Journal of Physical Chemistry C 119 (32), 18380-18388, 2015 | 34 | 2015 |