The effects of near-surface atomic order on the catalytic properties of Cu3Au and CuAu3 intermetallics for the CO2 reduction reaction-Reference-Cited by-同舟云学术

The effects of near-surface atomic order on the catalytic properties of Cu₃Au and CuAu₃ intermetallics for the CO₂ reduction reaction

Published:2023 Issue:22 Volume:13 Page:6415-6430
ISSN:2044-4753
Container-title:Catalysis Science & Technology
language:en
Short-container-title:Catal. Sci. Technol.

Author:

Verga Lucas G.¹²^ORCID,Wang Yunzhe²,Chakraborty Tanmoy²³^ORCID,Da Silva Juarez L. F.¹^ORCID,Mueller Tim²^ORCID

Affiliation:

1. São Carlos Institute of Chemistry, University of São Paulo, PO Box 780, 13560-970, São Carlos, SP, Brazil

2. Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, Maryland, 21218, USA

3. Department of Chemistry, University of Warwick, Gibbet Hill Road, Coventry, CV4 7AL, UK

Abstract

Density functional theory (DFT) calculations combined with cluster expansions (CE) were employed to explore the catalytic activity of stoichiometric and non-stoichiometric Cu3Au and CuAu3 surfaces for CO2 reduction to CO.

Funder

National Science Foundation

Agência Nacional do Petróleo, Gás Natural e Biocombustíveis

Division of Chemical, Bioengineering, Environmental, and Transport Systems

Fundação de Amparo à Pesquisa do Estado de São Paulo

Publisher

Royal Society of Chemistry (RSC)

Subject

Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CY/D3CY00658A

Reference86 articles.

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4. Formation of hydrocarbons in the electrochemical reduction of carbon dioxide at a copper electrode in aqueous solution

5. Electrocatalytic process of CO selectivity in electrochemical reduction of CO2 at metal electrodes in aqueous media