Maxime Van den Bossche
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Methane oxidation over PdO (101) revealed by first-principles kinetic modeling
MV Bossche, H Gronbeck
Journal of the American Chemical Society 137 (37), 12035-12044, 2015
782015
Intrinsic ligand effect governing the catalytic activity of Pd oxide thin films
NM Martin, M Van den Bossche, A Hellman, H Gronbeck, C Hakanoglu, ...
Acs Catalysis 4 (10), 3330-3334, 2014
632014
CO adsorption on clean and oxidized Pd (111)
NM Martin, M Van den Bossche, H Gronbeck, C Hakanoglu, F Zhang, T Li, ...
The Journal of Physical Chemistry C 118 (2), 1118-1128, 2014
562014
Assessment of Constant-Potential Implicit Solvation Calculations of Electrochemical Energy Barriers for H2 Evolution on Pt
M Van den Bossche, E Skúlason, C Rose-Petruck, H Jónsson
The Journal of Physical Chemistry C 123 (7), 4116-4124, 2019
292019
Reversed Hysteresis during CO Oxidation over Pd75Ag25(100)
VR Fernandes, MV Bossche, J Knudsen, MH Farstad, J Gustafson, ...
ACS Catalysis 6 (7), 4154-4161, 2016
242016
Effects of non-local exchange on core level shifts for gas-phase and adsorbed molecules
M Van den Bossche, NM Martin, J Gustafson, C Hakanoglu, JF Weaver, ...
The Journal of chemical physics 141 (3), 034706, 2014
222014
Dissociative adsorption of hydrogen on PdO (101) studied by HRCLS and DFT
NM Martin, M Van den Bossche, H Grönbeck, C Hakanoglu, J Gustafson, ...
The Journal of Physical Chemistry C 117 (26), 13510-13519, 2013
202013
DFTB-Assisted Global Structure Optimization of 13-and 55-Atom Late Transition Metal Clusters
M Van den Bossche
The Journal of Physical Chemistry A 123 (13), 3038-3045, 2019
192019
Understanding the intrinsic surface reactivity of single-layer and multilayer PdO (101) on Pd (100)
V Mehar, M Kim, M Shipilin, M Van den Bossche, J Gustafson, LR Merte, ...
ACS Catalysis 8 (9), 8553-8567, 2018
192018
Tight-binding approximation-enhanced global optimization
M Van den Bossche, H Grönbeck, B Hammer
Journal of chemical theory and computation 14 (5), 2797-2807, 2018
192018
Trends in adsorbate induced core level shifts
V Nilsson, M Van den Bossche, A Hellman, H Grönbeck
Surface Science 640, 59-64, 2015
192015
A Chemical View on X‐ray Photoelectron Spectroscopy: the ESCA Molecule and Surface‐to‐Bulk XPS Shifts
FA Delesma, M Van den Bossche, H Grönbeck, P Calaminici, AM Köster, ...
ChemPhysChem 19 (2), 169-174, 2018
142018
Modelling complete methane oxidation over palladium oxide in a porous catalyst using first-principles surface kinetics
CR Florén, M Van den Bossche, D Creaser, H Grönbeck, PA Carlsson, ...
Catalysis Science & Technology 8 (2), 508-520, 2018
112018
Adsorbate Pairing on Oxide Surfaces: Influence on Reactivity and Dependence on Oxide, Adsorbate Pair, and Density Functional
M Van den Bossche, H Grönbeck
The Journal of Physical Chemistry C 121 (15), 8390-8398, 2017
92017
Addition to “Assessment of Constant-Potential Implicit Solvation Calculations of Electrochemical Energy Barriers for H2 Evolution on Pt”
M Van den Bossche, E Skúlason, C Rose-Petruck, H Jónsson
The Journal of Physical Chemistry C 123 (25), 15875-15875, 2019
32019
Methane oxidation over palladium oxide: From electronic structure to catalytic conversion
M van den Bossche
PQDT-Global, 2017
32017
Oxide at the Al-rich surface
Z Dai, N Alyabyeva, M Van den Bossche, P Borghetti, S Chenot, P David, ...
Physical Review Materials 4 (7), 074409, 2020
2020
Understanding the structural diversity of freestanding Al 2 O 3 ultrathin films through a DFTB-aided genetic algorithm
M Van den Bossche, C Noguera, J Goniakowski
Nanoscale 12 (10), 6153-6163, 2020
2020
Assessment of constant-potential implicit solvation calculations of electrochemical energy barriers
M Van den Bossche, E Skúlason, C Rose-Petruck, H Jónsson
2018
First principles kinetic modeling of methane oxidation over Pd and PdO
M Jorgensen, M Van den Bossche, H Gronbeck
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017
2017
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Artiklar 1–20