Interfacing single-atom catalysis with continuous-flow organic electrosynthesis

MA Bajada, J Sanjosé-Orduna, G Di Liberto… - Chemical Society …, 2022 - pubs.rsc.org
The global warming crisis has sparked a series of environmentally cautious trends in
chemistry, allowing us to rethink the way we conduct our synthesis, and to incorporate more …

Single atom catalysts: a review of characterization methods

M Kottwitz, Y Li, H Wang, AI Frenkel… - Chemistry …, 2021 - Wiley Online Library
Single atom catalysts (SACs) harbor a potential to exceed nanoparticle catalysts in terms of
activity, stability and selectivity in a growing number of chemical reactions. Although their …

Azide-alkyne click chemistry over a heterogeneous copper-based single-atom catalyst

G Vilé, G Di Liberto, S Tosoni, A Sivo, V Ruta… - ACS …, 2022 - ACS Publications
One-pot three-component regioselective azide-alkyne cycloadditions are central reactions
for synthesizing pharmaceuticals and fine chemicals and are also applied for in vivo …

Oxygen-deficient metal oxides supported nano-intermetallic InNi3C0.5 toward efficient CO2 hydrogenation to methanol

C Meng, G Zhao, XR Shi, P Chen, Y Liu, Y Lu - Science Advances, 2021 - science.org
Direct CO2 hydrogenation to methanol using renewable energy–generated hydrogen is
attracting intensive attention, but qualifying catalysts represents a grand challenge. Pure …

Modeling Single‐Atom Catalysis

G Di Liberto, G Pacchioni - Advanced Materials, 2023 - Wiley Online Library
Electronic structure calculations represent an essential complement of experiments to
characterize single‐atom catalysts (SACs), consisting of isolated metal atoms stabilized on a …

Modelling single atom catalysts for water splitting and fuel cells: A tutorial review

S Tosoni, G Di Liberto, I Matanovic… - Journal of Power Sources, 2023 - Elsevier
In this tutorial review we report the state-of-the-art of the modeling approaches of Single
Atom Catalysts (SAC) for water splitting and fuel cells reactions. The discussion applies for …

Regulating local coordination environment of rhodium single atoms in Rh/CeO2 catalysts for N2O decomposition

S Xie, D Kim, K Ye, L Tetard, F Liu - Journal of Rare Earths, 2023 - Elsevier
Rh single atom catalysts (SACs) have been insensitively investigated recently due to the
maximum utilization efficiency of Rh, one of the most expensive precious metals. Although …

Experimental and Theoretical Characterization of Rh Single Atoms Supported on γ-Al2O3 with Varying Hydroxyl Contents during NO Reduction by CO

AJ Hoffman, C Asokan, N Gadinas, E Schroeder… - ACS …, 2022 - ACS Publications
Oxide-supported Rh catalysts are important components of commercial three-way catalysts
for pollution abatement. Despite their universal application, many mysteries remain about …

A few questions about single-atom catalysts: When modeling helps

G Di Liberto, S Tosoni, LA Cipriano… - Accounts of Materials …, 2022 - ACS Publications
Conspectus Single-atom catalysis (SAC) is a fascinating and rapidly growing field in
heterogeneous catalysis. In less than 20 years, this has become one of the most widely …

Nature and Dynamic Evolution of Rh Single Atoms Trapped by CeO2 in CO Hydrogenation

D Wu, S Liu, M Zhong, J Zhao, C Du, Y Yang… - ACS …, 2022 - ACS Publications
Metal single-atom catalysts (SACs) have attracted extensive interest because of their
maximum atom efficiency and potentially good performances. However, the understanding …