Maxime van den Bossche

Tight-Binding Approximation-Enhanced Global Optimization

Modelling complete methane oxidation over palladium oxide in a porous catalyst using first-principles surface kinetics

A chemical view on X-ray photoelectron spectroscopy: the ESCA molecule and surface-to-bulk XPS shifts

Understanding the Intrinsic Surface Reactivity of Single-Layer and Multilayer PdO(101) on Pd(100)

Adsorbate Pairing on Oxide Surfaces: Influence on Reactivity and Dependence on Oxide, Adsorbate Pair, and Density Functional

2017

Methane oxidation over palladium oxide. From electronic structure to catalytic conversion

First-principles microkinetic modeling of methane oxidation over PdO(101)

Reversed Hysteresis during CO Oxidation over Pd75Ag25(100)

First-principles microkinetic modeling of methane oxidation over PdO(101)

Reducible oxide chemistry, structure and functions

Methane Oxidation over PdO(101) Revealed by First-Principles Kinetic Modeling

Trends in adsorbate induced core level shifts

2015

Methane oxidation over palladium oxide: From electronic structure to catalytic conversion

CO Adsorption on Clean and Oxidized Pd(111)

2014

Effects of non-local exchange on core level shifts for gas-phase and adsorbed molecules

Intrinsic Ligand Effect Governing the Catalytic Activity of Pd Oxide Thin Films

Dissociative Adsorption of Hydrogen on PdO(101) Studied by HRCLS and DFT