| 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 | 146 | 2015 |
| 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 | 103 | 2014 |
| 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 | 96 | 2019 |
| 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 | 92 | 2014 |
| 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 | 66 | 2019 |
| 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 | 55 | 2018 |
| 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 | 48 | 2018 |
| 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 | 43 | 2016 |
| 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), 2014 | 35 | 2014 |
| 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 | 34 | 2018 |
| 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 | 31 | 2013 |
| Trends in adsorbate induced core level shifts V Nilsson, M Van den Bossche, A Hellman, H Grönbeck Surface Science 640, 59-64, 2015 | 26 | 2015 |
| 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 | 23 | 2018 |
| 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 | 17 | 2017 |
| Competing HCOOH and CO Pathways in CO2 Electroreduction at Copper Electrodes: Calculations of Voltage-Dependent Activation Energy M Van den Bossche, C Rose-Petruck, H Jónsson The Journal of Physical Chemistry C, 2021 | 16 | 2021 |
| 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 | 15 | 2020 |
| 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 | 7 | 2019 |
| Planar NbnOm Clusters on the Au(111) Surface S Wang, Y Zhu, M Van den Bossche, J Goniakowski, C Noguera, ... Small Structures 4 (12), 2300141, 2023 | 4 | 2023 |
| Structural characteristics of Al 2 O 3 ultra-thin films supported on the NiAl (100) substrate from DFTB-aided global optimization M Van den Bossche, J Goniakowski, C Noguera Nanoscale 13 (46), 19500-19510, 2021 | 4 | 2021 |
| 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 | 4 | 2020 |
