| MoS2 monolayer catalyst doped with isolated Co atoms for the hydrodeoxygenation reaction G Liu, AW Robertson, MMJ Li, WCH Kuo, MT Darby, MH Muhieddine, ... Nature chemistry 9 (8), 810-816, 2017 | 829 | 2017 |
| Pt/Cu single-atom alloys as coke-resistant catalysts for efficient C–H activation MD Marcinkowski, MT Darby, J Liu, JM Wimble, FR Lucci, S Lee, ... Nature chemistry 10 (3), 325-332, 2018 | 580 | 2018 |
| A review of multiscale modeling of metal-catalyzed reactions: Mechanism development for complexity and emergent behavior M Salciccioli, M Stamatakis, S Caratzoulas, DG Vlachos Chemical Engineering Science 66 (19), 4319-4355, 2011 | 423 | 2011 |
| Lonely atoms with special gifts: breaking linear scaling relationships in heterogeneous catalysis with single-atom alloys MT Darby, M Stamatakis, A Michaelides, ECH Sykes The journal of physical chemistry letters 9 (18), 5636-5646, 2018 | 291 | 2018 |
| First-principles design of a single-atom–alloy propane dehydrogenation catalyst RT Hannagan, G Giannakakis, R Réocreux, J Schumann, J Finzel, ... Science 372 (6549), 1444-1447, 2021 | 266 | 2021 |
| Unraveling the complexity of catalytic reactions via kinetic Monte Carlo simulation: current status and frontiers M Stamatakis, DG Vlachos ACS Catalysis 2 (12), 2648-2663, 2012 | 251 | 2012 |
| A graph-theoretical kinetic Monte Carlo framework for on-lattice chemical kinetics M Stamatakis, DG Vlachos The Journal of chemical physics 134 (21), 2011 | 250 | 2011 |
| Controlling hydrogen activation, spillover, and desorption with Pd–Au single-atom alloys FR Lucci, MT Darby, MFG Mattera, CJ Ivimey, AJ Therrien, A Michaelides, ... The journal of physical chemistry letters 7 (3), 480-485, 2016 | 235 | 2016 |
| Elucidating the stability and reactivity of surface intermediates on single-atom alloy catalysts MT Darby, R Réocreux, ECH Sykes, A Michaelides, M Stamatakis ACS Catalysis 8 (6), 5038-5050, 2018 | 195 | 2018 |
| Parallel kinetic Monte Carlo simulation framework incorporating accurate models of adsorbate lateral interactions J Nielsen, M d’Avezac, J Hetherington, M Stamatakis The Journal of chemical physics 139 (22), 2013 | 184 | 2013 |
| Carbon monoxide poisoning resistance and structural stability of single atom alloys MT Darby, ECH Sykes, A Michaelides, M Stamatakis Topics in catalysis 61 (5), 428-438, 2018 | 177 | 2018 |
| Controlling a spillover pathway with the molecular cork effect MD Marcinkowski, AD Jewell, M Stamatakis, MB Boucher, EA Lewis, ... Nature materials 12 (6), 523-528, 2013 | 160 | 2013 |
| From biomass‐derived furans to aromatics with ethanol over zeolite IF Teixeira, BTW Lo, P Kostetskyy, M Stamatakis, L Ye, CC Tang, ... Angewandte Chemie International Edition 55 (42), 13061-13066, 2016 | 143 | 2016 |
| First-principles-based kinetic Monte Carlo simulation of the structure sensitivity of the water–gas shift reaction on platinum surfaces M Stamatakis, Y Chen, DG Vlachos The Journal of Physical Chemistry C 115 (50), 24750-24762, 2011 | 141 | 2011 |
| Kinetic modelling of heterogeneous catalytic systems M Stamatakis Journal of Physics: Condensed Matter 27 (1), 013001, 2014 | 138 | 2014 |
| CO oxidation on Pd (111): a first-principles-based kinetic Monte Carlo study S Piccinin, M Stamatakis Acs Catalysis 4 (7), 2143-2152, 2014 | 129 | 2014 |
| Directing reaction pathways via in situ control of active site geometries in PdAu single-atom alloy catalysts M Ouyang, KG Papanikolaou, A Boubnov, AS Hoffman, G Giannakakis, ... Nature Communications 12 (1), 1549, 2021 | 119 | 2021 |
| Preparation, structure, and surface chemistry of Ni–Au single atom alloys ZT Wang, MT Darby, AJ Therrien, M El-Soda, A Michaelides, ... The Journal of Physical Chemistry C 120 (25), 13574-13580, 2016 | 95 | 2016 |
| Multiscale modeling reveals poisoning mechanisms of MgO-supported Au clusters in CO oxidation M Stamatakis, MA Christiansen, DG Vlachos, G Mpourmpakis Nano letters 12 (7), 3621-3626, 2012 | 73 | 2012 |
| CO-induced aggregation and segregation of highly dilute alloys: a density functional theory study KG Papanikolaou, MT Darby, M Stamatakis The Journal of Physical Chemistry C 123 (14), 9128-9138, 2019 | 72 | 2019 |
Charlie SykesProfessor of ChemistryVerified email at tufts.edu
