Mechanism of methanol synthesis from CO2 on Cu/CeO2 and Cu/W-CeO2: a DFT investigation into the nature of W-doping-Reference-Cited by-同舟云学术

Mechanism of methanol synthesis from CO₂ on Cu/CeO₂ and Cu/W-CeO₂: a DFT investigation into the nature of W-doping

Published:2024 Issue:4 Volume:12 Page:2323-2334
ISSN:2050-7488
Container-title:Journal of Materials Chemistry A
language:en
Short-container-title:J. Mater. Chem. A

Author:

Ma Nana¹^ORCID,Cheng Weiyi¹,Wei Changgeng²,Li Shujun¹^ORCID,Zhang Guisheng¹^ORCID

Affiliation:

1. School of Chemistry and Chemical Engineering, Key Laboratory of Green Chemical Media and Reactions, Ministry of Education, NMPA Key Laboratory for Research and Evaluation of Innovative Drug, Henan Normal University, Xinxiang, Henan 453007, China

2. Bremen Center for Computational Materials Science, University of Bremen, 28359, Bremen, Germany

Abstract

The modified text: DFT calculations indicate that W-doping changes the reaction of methanol synthesis from CO2 at the Cu8/CeO2-Ov from the RWGS + CO hydrogenation pathway to the formate pathway by weakening the interaction of Cu–Oup but enhancing the C–Odown bond.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Henan Province

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2024/TA/D3TA06569C

Reference65 articles.

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4. Windows on the greenhouse

5. Beyond Oil and Gas: The Methanol Economy