O2 Activation by Metal Surfaces: Implications for Bonding and Reactivity on Heterogeneous Catalysts

MM Montemore, MA Van Spronsen, RJ Madix… - Chemical …, 2017 - ACS Publications
The activation of O2 on metal surfaces is a critical process for heterogeneous catalysis and
materials oxidation. Fundamental studies of well-defined metal surfaces using a variety of …

Surface chemistry of ruthenium dioxide in heterogeneous catalysis and electrocatalysis: from fundamental to applied research

H Over - Chemical Reviews, 2012 - ACS Publications
Ruthenium is a chemical element that can easily adopt various formal oxidation states from−
II to+ VIII in chemical bonds,(1, 2) thus giving rise to many compounds with interesting and …

Surface science under reaction conditions: CO oxidation on Pt and Pd model catalysts

MA Van Spronsen, JWM Frenken… - Chemical Society …, 2017 - pubs.rsc.org
Platinum and palladium are frequently used as catalytic materials, for example for the
oxidation of CO. This is one of the most widely studied reactions in the field of surface …

Atomically thin 2D transition metal oxides: Structural reconstruction, interaction with substrates, and potential applications

T Yang, TT Song, M Callsen, J Zhou… - Advanced Materials …, 2019 - Wiley Online Library
The discovery of graphene has stimulated dramatic research interest on other 2D materials
including transition metal oxide (TMO) monolayers in order to realize novel functionalization …

Theoretical surface science

A Gross - A Microscopic Perspective. Originally published in the …, 2003 - Springer
More than five years have passed since the first edition of this book was published. Surface
science is still a very active field of research, and the fact that the Nobel Prize 2007 in …

Ab initio thermodynamics and first-principles microkinetics for surface catalysis

K Reuter - Catalysis Letters, 2016 - Springer
Ab initio thermodynamics and first-principles microkinetic simulations have become
standard tools in research on model catalysts. Complementing dedicated in situ experiments …

On-the-fly machine learning of atomic potential in density functional theory structure optimization

TL Jacobsen, MS Jørgensen, B Hammer - Physical review letters, 2018 - APS
Machine learning (ML) is used to derive local stability information for density functional
theory calculations of systems in relation to the recently discovered SnO 2 (110)-(4× 1) …

Role of water on the structure of palladium for complete oxidation of methane

X Li, X Wang, K Roy, JA van Bokhoven, L Artiglia - ACS Catalysis, 2020 - ACS Publications
Palladium-based catalysts are attractive for methane combustion on natural gas vehicles at
low temperature. By means of ambient pressure X-ray photoelectron spectroscopy, we …

Molecular beam experiments on model catalysts

J Libuda, HJ Freund - Surface Science Reports, 2005 - Elsevier
Heterogeneous catalysts are highly complex materials with respect to both their composition
and structure. The reaction kinetics on their surfaces is known to depend sensitively on …

Alkane activation and oxidation on late-transition-metal oxides: challenges and opportunities

R Martin, M Kim, A Asthagiri, JF Weaver - ACS Catalysis, 2021 - ACS Publications
Late-transition-metal oxides have emerged as promising materials for enabling direct
catalytic conversions of light alkanes to value-added products due to the ability of certain …