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  Computational mechanistic insights into non-noble-metal-catalysed CO2 conversion

Roy, L., Mondal, B., & Ye, S. (2020). Computational mechanistic insights into non-noble-metal-catalysed CO2 conversion. Dalton Transactions, 49(46), 16608-16616. doi:10.1039/D0DT03096A.

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 Creators:
Roy, Lisa1, Author
Mondal, Bhaskar2, Author
Ye, Shengfa3, 4, Author              
Affiliations:
1Institute of Chemical Technology Mumbai – IOC Odisha Campus Bhubaneswar, IIT Kharagpur Extension Centre , Bhubaneswar 751013, India, ou_persistent22              
2School of Basic Sciences, Indian Institute of Technology Mandi, Kamand, Himachal Pradesh 175005, India , ou_persistent22              
3State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 457 Zhongshan Road, Dalian 116023, China, ou_persistent22              
4Research Group Ye, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_2541708              

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 Abstract: The conversion of CO2 into liquid fuels and value-added fine chemicals is of significant interest for both the environment and the global energy demand. In this frontier article, we highlight viable methods for transforming CO2 into valuable C1 feedstocks and summarize the key mechanistic aspects obtained by in-depth computational investigations of three important pathways of two-electron CO2 reduction: (i) CO2 dissociation to CO (ii) CO2 dimerization to CO32− and CO, and (iii) CO2 hydrogenation to formate. Lastly, we present our outlook on how theoretically obtained mechanistic insights could be translated into strategies for designing efficient non-noble-metal catalysts for CO2 reduction.

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Language(s): eng - English
 Dates: 2020-09-042020-10-162020-12-14
 Publication Status: Published in print
 Pages: 9
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1039/D0DT03096A
 Degree: -

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Title: Dalton Transactions
  Abbreviation : Dalton Trans.
Source Genre: Journal
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Publ. Info: Cambridge, UK : Royal Society of Chemistry
Pages: - Volume / Issue: 49 (46) Sequence Number: - Start / End Page: 16608 - 16616 Identifier: ISSN: 1477-9226
CoNE: https://pure.mpg.de/cone/journals/resource/954925269323