Surface termination dependent carbon dioxide reduction reaction on Ti<sub>3</sub>C<sub>2</sub> MXene-Reference-Cited by-同舟云学术

Surface termination dependent carbon dioxide reduction reaction on Ti₃C₂ MXene

Published:2024 Issue:13 Volume:12 Page:7856-7874
ISSN:2050-7488
Container-title:Journal of Materials Chemistry A
language:en
Short-container-title:J. Mater. Chem. A

Author:

Meng Ling¹²^ORCID,Yan Li-Kai²^ORCID,Viñes Francesc¹^ORCID,Illas Francesc¹^ORCID

Affiliation:

1. Departament de Ciència de Materials i Química Física & Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, c/ Martí i Franquès 1-11, 08028, Barcelona, Spain

2. Institute of Functional Material Chemistry, Key Laboratory of Polyoxometalate Science of Ministry of Education, Faculty of Chemistry, Northeast Normal University, Changchun 130024, P. R. China

Abstract

Ti3C2Tx MXene with surface terminations mixing –O with –OH and/or –F groups are optimal for CO2 reduction according to density functional calculations on Pourbaix diagrams coherent surface models, highlighting the role of –OH groups as H sources.

Funder

European Cooperation in Science and Technology

Ministerio de Ciencia e Innovación

China Scholarship Council

Institució Catalana de Recerca i Estudis Avançats

Agència de Gestió d'Ajuts Universitaris i de Recerca

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/TA/D4TA00320A

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5. CO2 hydrogenation on Au/TiC, Cu/TiC, and Ni/TiC catalysts: Production of CO, methanol, and methane

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