A DFT study for CO2 hydrogenation on W(111) and Ni-doped W(111) surfaces-Reference-Cited by-同舟云学术

A DFT study for CO2 hydrogenation on W(111) and Ni-doped W(111) surfaces

Published:2020 Issue:30 Volume:22 Page:17106-17116
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Zhang Minhua¹²³⁴⁵,Yin Song¹²³⁴⁵,Chen Yifei¹²³⁴⁵^ORCID

Affiliation:

1. Key Laboratory for Green Chemical Technology of Ministry of Education

2. R&D Center for Petrochemical Technology

3. Tianjin University

4. Tianjin 300072

5. China

Abstract

The first-step hydrogenation of CO₂ to methanol via HCOO route, COOH route, and RWGS + CO-hydro route on Ni_xW(111) (x = 0, 1, 3) has been studied using density functional theory (DFT) calculations.

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/2020/CP/D0CP02285C

Reference60 articles.

1. Chemical Recycling of Carbon Dioxide to Methanol and Dimethyl Ether: From Greenhouse Gas to Renewable, Environmentally Carbon Neutral Fuels and Synthetic Hydrocarbons

2. Science and Technology for Sustainable Well-Being

3. Recent Advances in Carbon Dioxide Hydrogenation to Methanol via Heterogeneous Catalysis

4. Recent advances in catalytic hydrogenation of carbon dioxide

5. Recent developments in carbon dioxide utilization under mild conditions

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