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Michail Stamatakis
Michail Stamatakis
Professor of Computational Inorganic Chemistry, University of Oxford
在 chem.ox.ac.uk 的电子邮件经过验证 - 首页
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引用次数
引用次数
年份
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
7682017
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
5482018
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
3962011
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
2612018
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
2392012
A graph-theoretical kinetic Monte Carlo framework for on-lattice chemical kinetics
M Stamatakis, DG Vlachos
The Journal of chemical physics 134 (21), 2011
2352011
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
2182021
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
2182016
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
1812018
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
1712013
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
1522018
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
1472013
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
1342011
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
1282016
Kinetic modelling of heterogeneous catalytic systems
M Stamatakis
Journal of Physics: Condensed Matter 27 (1), 013001, 2014
1282014
CO oxidation on Pd (111): a first-principles-based kinetic Monte Carlo study
S Piccinin, M Stamatakis
Acs Catalysis 4 (7), 2143-2152, 2014
1212014
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
982021
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
912016
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
732012
Beyond mean-field approximations for accurate and computationally efficient models of on-lattice chemical kinetics
M Pineda, M Stamatakis
The Journal of Chemical Physics 147 (2), 2017
682017
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