Methane Oxidation over PdO(101) Revealed by First-Principles Kinetic Modeling von Bossche, Maxime Van den, Grönbeck, Henrik

Volltext

Understanding the structural diversity of freestanding Al2O3 ultrathin films through a DFTB-aided genetic algorithm von Maxime Van den Bossche, Noguera, Claudine, Goniakowski, Jacek

Volltext

Structural characteristics of Al2O3 ultra-thin films supported on the NiAl(100) substrate from DFTB-aided global optimization von Maxime Van den Bossche, Goniakowski, Jacek, Noguera, Claudine

Volltext

Tight-Binding Approximation-Enhanced Global Optimization von Van den Bossche, Maxime, Grönbeck, Henrik, Hammer, Bjørk

Volltext

Assessment of Constant-Potential Implicit Solvation Calculations of Electrochemical Energy Barriers for H2 Evolution on Pt von Van den Bossche, Maxime, Skúlason, Egill, Rose-Petruck, Christoph, Jónsson, Hannes

Volltext

A Chemical View on X‐ray Photoelectron Spectroscopy: the ESCA Molecule and Surface‐to‐Bulk XPS Shifts von Delesma, Francisco A., Van den Bossche, Maxime, Grönbeck, Henrik, Calaminici, Patrizia, Köster, Andreas M., Pettersson, Lars G. M.

Volltext

Understanding the Intrinsic Surface Reactivity of Single-Layer and Multilayer PdO(101) on Pd(100) von Mehar, Vikram, Kim, Minkyu, Shipilin, Mikhail, Van den Bossche, Maxime, Gustafson, Johan, Merte, Lindsay R, Hejral, Uta, Grönbeck, Henrik, Lundgren, Edvin, Asthagiri, Aravind, Weaver, Jason F

Volltext

Intrinsic Ligand Effect Governing the Catalytic Activity of Pd Oxide Thin Films von Martin, Natalia M, Van den Bossche, Maxime, Hellman, Anders, Grönbeck, Henrik, Hakanoglu, Can, Gustafson, Johan, Blomberg, Sara, Johansson, Niclas, Liu, Zhi, Axnanda, Stephanus, Weaver, Jason F, Lundgren, Edvin

Volltext

Modelling complete methane oxidation over palladium oxide in a porous catalyst using first-principles surface kinetics von Florén, Carl-Robert, Van den Bossche, Maxime, Creaser, Derek, Grönbeck, Henrik, Carlsson, Per-Anders, Korpi, Heikki, Skoglundh, Magnus

Volltext

Planar NbnOm Clusters on the Au(111) Surface von Wang, Shuqiu, Zhu, Yuhan, Van den Bossche, Maxime, Goniakowski, Jacek, Noguera, Claudine, Castell, Martin R.

Volltext

Reversed Hysteresis during CO Oxidation over Pd75Ag25(100) von Fernandes, Vasco R, Bossche, Maxime Van den, Knudsen, Jan, Farstad, Mari H, Gustafson, Johan, Venvik, Hilde J, Grönbeck, Henrik, Borg, Anne

Volltext

DFTB-Assisted Global Structure Optimization of 13- and 55-Atom Late Transition Metal Clusters von Van den Bossche, Maxime

Volltext

Integration of the PD-L1 inhibitor atezolizumab and WT1/DC vaccination into standard-of-care first-line treatment for patients with epithelioid malignant pleural mesothelioma-Proto... von Van den Bossche, Jolien, De Laere, Maxime, Deschepper, Koen, Germonpré, Paul, Valcke, Yvan, Lamont, Jan, Stein, Barbara, Van Camp, Kirsten, Germonpré, Charlotte, Nijs, Griet, Roelant, Ella, Anguille, Sébastien, Lion, Eva, Berneman, Zwi

Volltext

Three-Center Tight-Binding Together with Multipolar Auxiliary Functions von Van den Bossche, Maxime

Volltext

CO Adsorption on Clean and Oxidized Pd(111) von Martin, N. M, Van den Bossche, M, Grönbeck, H, Hakanoglu, C, Zhang, F, Li, T, Gustafson, J, Weaver, J. F, Lundgren, E

Volltext

Effects of non-local exchange on core level shifts for gas-phase and adsorbed molecules von Van den Bossche, M, Martin, N M, Gustafson, J, Hakanoglu, C, Weaver, J F, Lundgren, E, Grönbeck, H

Volltext

Dissociative Adsorption of Hydrogen on PdO(101) Studied by HRCLS and DFT von Martin, N. M, Van den Bossche, M, Grönbeck, H, Hakanoglu, C, Gustafson, J, Blomberg, S, Arman, M. A, Antony, A, Rai, R, Asthagiri, A, Weaver, J. F, Lundgren, E

Volltext

Assessment of Constant-Potential Implicit Solvation Calculations of Electrochemical Energy Barriers for H 2 Evolution on Pt von Van den Bossche, Maxime, Skúlason, Egill, Rose-Petruck, Christoph, Jónsson, Hannes

Volltext

Competing HCOOH and CO Pathways in CO 2 Electroreduction at Copper Electrodes: Calculations of Voltage-Dependent Activation Energy von Van den Bossche, Maxime, Rose-Petruck, Christoph, Jónsson, Hannes

Volltext

Structural characteristics of Al 2 O 3 ultra-thin films supported on the NiAl(100) substrate from DFTB-aided global optimization von Van den Bossche, Maxime, Goniakowski, Jacek, Noguera, Claudine

Volltext