Hydrogenation of CO<sub>2</sub> to methanol over In-doped m-ZrO<sub>2</sub>: a DFT investigation into the oxygen vacancy size-dependent reaction mechanism-Reference-Cited by-同舟云学术

Hydrogenation of CO₂ to methanol over In-doped m-ZrO₂: a DFT investigation into the oxygen vacancy size-dependent reaction mechanism

Published:2022 Issue:38 Volume:24 Page:23182-23194
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Yu Jie¹^ORCID,Zeng Yabing²,Lin Wei²³^ORCID,Lu Xin¹³^ORCID

Affiliation:

1. State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistryand Chemical Engineering, Xiamen University, Xiamen 361005, Fujian, China

2. College of Chemistry, Fuzhou University, Fuzhou 350108, Fujian, China

3. Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen University, Xiamen 361005, Fujian, China

Abstract

DFT calculations show that oxygen vacancies affect the reaction mechanism of CO2 hydrogenation towards methanol on the In@m-ZrO2(111) surface.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP02788G

Reference58 articles.

1. Turning carbon dioxide into fuel

2. Electrocatalytic and homogeneous approaches to conversion of CO2to liquid fuels

3. Recent advances in catalytic hydrogenation of carbon dioxide

4. Selective Hydrogenation of CO 2 to Ethanol over Cobalt Catalysts

5. Water-Enhanced Synthesis of Higher Alcohols from CO2Hydrogenation over a Pt/Co3O4Catalyst under Milder Conditions

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