Mechanism of methanol synthesis on Ni(110)-Reference-Cited by-同舟云学术

Mechanism of methanol synthesis on Ni(110)

Published:2021 Issue:9 Volume:11 Page:3279-3294
ISSN:2044-4753
Container-title:Catalysis Science & Technology
language:en
Short-container-title:Catal. Sci. Technol.

Author:

Peng Guowen¹²³⁴,Xu Lang¹²³⁴^ORCID,Glezakou Vassiliki-Alexandra⁵⁶⁷⁸⁴,Mavrikakis Manos¹²³⁴^ORCID

Affiliation:

1. Department of Chemical and Biological Engineering

2. University of Wisconsin-Madison

3. Madison

4. USA

5. Basic and Applied Molecular Foundations Group

6. Physical and Computational Sciences Directorate

7. Pacific Northwest National Laboratory

8. Richland

Abstract

Planewave density functional theory (DFT-PW91) calculations are employed to study the methanol synthesis through CO₂ and CO hydrogenation, as well as the two side reactions: the water gas shift (WGS) reaction and the formic acid formation, on Ni(110).

Funder

Office of Science

Basic Energy Sciences

U.S. Department of Energy

Chemical Sciences, Geosciences, and Biosciences Division

Publisher

Royal Society of Chemistry (RSC)

Subject

Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CY/D1CY00107H

Reference80 articles.