Single-atom catalysis: Insights from model systems

F Kraushofer, GS Parkinson - Chemical Reviews, 2022 - ACS Publications
The field of single-atom catalysis (SAC) has expanded greatly in recent years. While there
has been much success developing new synthesis methods, a fundamental disconnect …

In Situ and Operando X-ray Scattering Methods in Electrochemistry and Electrocatalysis

OM Magnussen, J Drnec, C Qiu, I Martens… - Chemical …, 2024 - ACS Publications
Electrochemical and electrocatalytic processes are of key importance for the transition to a
sustainable energy supply as well as for a wide variety of other technologically relevant …

Unraveling CO adsorption on model single-atom catalysts

J Hulva, M Meier, R Bliem, Z Jakub, F Kraushofer… - Science, 2021 - science.org
Understanding how the local environment of a “single-atom” catalyst affects stability and
reactivity remains a challenge. We present an in-depth study of copper1, silver1, gold1 …

Local Structure and Coordination Define Adsorption in a Model Ir1/Fe3O4 Single‐Atom Catalyst

Z Jakub, J Hulva, M Meier, R Bliem… - Angewandte Chemie …, 2019 - Wiley Online Library
Single‐atom catalysts (SACs) bridge homo‐and heterogeneous catalysis because the active
site is a metal atom coordinated to surface ligands. The local binding environment of the …

Improving the Oxygen Evolution Reaction on Fe3O4(001) with Single-Atom Catalysts

E Bianchetti, D Perilli, C Di Valentin - ACS catalysis, 2023 - ACS Publications
Doping magnetite surfaces with transition-metal atoms is a promising strategy to improve the
catalytic performance toward the oxygen evolution reaction (OER), which governs the …

Single-atom catalysis: How structure influences catalytic performance

GS Parkinson - Catalysis letters, 2019 - Springer
It now seems clear that supported metal adatoms can be effective catalysts for some
reactions, but how to make best use of this phenomenon remains an open question. Most …

Electrochemical Stability of the Reconstructed Fe3O4(001) Surface

D Grumelli, T Wiegmann, S Barja… - Angewandte Chemie …, 2020 - Wiley Online Library
Establishing the atomic‐scale structure of metal‐oxide surfaces during electrochemical
reactions is a key step to modeling this important class of electrocatalysts. Here, we …

Adsorbate-induced structural evolution changes the mechanism of CO oxidation on a Rh/Fe 3 O 4 (001) model catalyst

Z Jakub, J Hulva, PTP Ryan, DA Duncan, DJ Payne… - Nanoscale, 2020 - pubs.rsc.org
The structure of a catalyst often changes in reactive environments, and following the
structural evolution is crucial for the identification of the catalyst's active phase and reaction …

An efficient way to model complex magnetite: Assessment of SCC-DFTB against DFT

H Liu, G Seifert, C Di Valentin - The Journal of chemical physics, 2019 - pubs.aip.org
Magnetite has attracted increasing attention in recent years due to its promising and diverse
applications in biomedicine. Theoretical modelling can play an important role in …

Adsorption of epoxy oligomers on iron oxide surfaces: the importance of surface treatment and the role of entropy

CR Wand, S Gibbon, FR Siperstein - Langmuir, 2021 - ACS Publications
Epoxy-based coatings are widely used in a range of industries as protective coatings. The
performance of the final solid–polymer system is dependent on the physicochemical …