Jump to main content
Jump to site search
Access to RSC content Close the message box

Continue to access RSC content when you are not at your institution. Follow our step-by-step guide.


Issue 21, 2020
Previous Article Next Article

The reaction pathway of the CO2RR to low-carbon alcohols: a theoretical study

Author affiliations

Abstract

Catalytic hydrogenation of CO2 to chemicals is an important approach for reducing the concentration of CO2 in the atmosphere. Among all value-added chemicals, alcohol can be considered one of the most economical products owing to its high calorific value and vast applications. There is no unanimous pathway of CO2 reduction to methanol and ethanol owing to its complex mechanism. In this work, we theoretically investigated the intermediates and pathway of the CO2RR to low-carbon alcohols using the density functional theory analysis and selected optimal reaction pathways by comprehensive evaluations. Additionally, the effects of environmental temperature and reaction phases were studied. This work can be regarded as a theoretical and introductory foundation for the further design of catalysts.

Graphical abstract: The reaction pathway of the CO2RR to low-carbon alcohols: a theoretical study

Back to tab navigation

Supplementary files

Article information


Submitted
13 Mar 2020
Accepted
02 May 2020
First published
04 May 2020

New J. Chem., 2020,44, 8971-8976
Article type
Paper

The reaction pathway of the CO2RR to low-carbon alcohols: a theoretical study

A. Liu, W. Guan, Q. Cao, X. Ren, L. Gao, Q. Zhao and T. Ma, New J. Chem., 2020, 44, 8971
DOI: 10.1039/D0NJ01265C

Social activity

Search articles by author

Spotlight

Advertisements