Mechanism of CO<sub>2</sub> hydrogenation over a Zr<sub>1</sub>–Cu single-atom catalyst-Reference-Cited by-同舟云学术

Mechanism of CO₂ hydrogenation over a Zr₁–Cu single-atom catalyst

Published:2022 Issue:11 Volume:46 Page:5043-5051
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Liu Lingna¹²,Wang Xujia¹,Lu Shuwei¹,Li Jiawei¹,Zhang Hui¹,Su Xuanyue¹,Xue Fan¹^ORCID,Cao Baowei¹,Fang Tao³

Affiliation:

1. Shaanxi Key Laboratory of Low Metamorphic Coal Clean Utilization, School of Chemistry and Chemical Engineering, Yulin University, Yulin 719000, P. R. China

2. National Coal and Salt Chemical Product Quality Supervision and Inspection Center (Yulin), Yulin 719000, P. R. China

3. Department of Chemical Engineering, School of Chemical Engineering and Technology, Xi’an Jiaotong University, Xi’an 710049, P. R. China

Abstract

The reaction mechanisms of methanol synthesis from CO2 hydrogenation on a Zr1–Cu surface are investigated using density functional theory calculations.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Shaanxi Provincial Department of Education

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2022/NJ/D1NJ05938F

Reference49 articles.

1. Conversion of CO2 to C1 chemicals: Catalyst design, kinetics and mechanism aspects of the reactions

2. A review on the catalytic conversion of CO2 using H2 for synthesis of CO, methanol, and hydrocarbons