Origin of CO2 as the main carbon source in syngas-to-methanol process over Cu: theoretical evidence from a combined DFT and microkinetic modeling study-Reference-Cited by-同舟云学术

Origin of CO2 as the main carbon source in syngas-to-methanol process over Cu: theoretical evidence from a combined DFT and microkinetic modeling study

Published:2020 Issue:10 Volume:10 Page:3346-3352
ISSN:2044-4753
Container-title:Catalysis Science & Technology
language:en
Short-container-title:Catal. Sci. Technol.

Author:

Xu Dongyang¹²³⁴⁵^ORCID,Wu Panpan¹²³⁴,Yang Bo¹²³⁴^ORCID

Affiliation:

1. School of Physical Science and Technology

2. ShanghaiTech University

3. Shanghai 201210

4. China

5. CAS Key Laboratory of Low-Carbon Conversion Science & Engineering

Abstract

A theoretical study combining DFT and microkinetic modeling provides evidence that CO₂ is the main carbon source in methanol synthesis from syngas (CO, CO₂ and H₂) over Cu.

Funder

Shanghai Municipal Education Commission

Science and Technology Commission of Shanghai Municipality

National Natural Science Foundation of China

ShanghaiTech University

Publisher

Royal Society of Chemistry (RSC)

Subject

Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CY/D0CY00602E

Reference55 articles.