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Identification of active catalysts for the acceptorless dehydrogenation of alcohols to carbonyls

Authors
  • Wang, Tao1
  • Sha, Jin2
  • Sabbe, Maarten3
  • Sautet, Philippe4, 5
  • Pera-Titus, Marc2
  • Michel, Carine6
  • 1 Westlake University, Hangzhou, Zhejiang Province, China , Hangzhou (China)
  • 2 Eco-Efficient Products and Processes Laboratory (E2P2L), UMI 3464 CNRS – Solvay, Shanghai, China , Shanghai (China)
  • 3 Ghent University, Zwijnaarde, Belgium , Zwijnaarde (Belgium)
  • 4 Department of Chemical and Biomolecular Engineering, University of California, Los Angeles, Los Angeles, CA, USA , Los Angeles (United States)
  • 5 University of California, Los Angeles, Los Angeles, CA, USA , Los Angeles (United States)
  • 6 Univ Lyon, ENS de Lyon, CNRS UMR 5182, Laboratoire de Chimie, Lyon, France , Lyon (France)
Type
Published Article
Journal
Nature Communications
Publisher
Springer Nature
Publication Date
Aug 24, 2021
Volume
12
Issue
1
Identifiers
DOI: 10.1038/s41467-021-25214-1
Source
Springer Nature
Disciplines
  • article
License
Green

Abstract

Identifying active catalysts for the conversion of alcohols into aldehydes or ketones and molecular hydrogen is highly desirable. Here the authors develop and validate against experiments a screening model based on DFT calculations and scaling relationships for identifying alcohol dehydrogenation catalysts.

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