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Yang T, Fukuda R, Hosokawa S, et al. A Theoretical Investigation on CO Oxidation by Single-Atom Catalysts M. ChemCatChem. 2017;9(7):1222-1229doi: 10.1002/cctc.201601713.
Yang, T., Fukuda, R., Hosokawa, S., Tanaka, T., Sakaki, S., & Ehara, M. (2017). A Theoretical Investigation on CO Oxidation by Single-Atom Catalysts M. ChemCatChem, 9(7), 1222-1229. https://doi.org/10.1002/cctc.201601713
Yang, Tao, et al. "A Theoretical Investigation on CO Oxidation by Single-Atom Catalysts M." ChemCatChem vol. 9,7 (2017): 1222-1229. doi: https://doi.org/10.1002/cctc.201601713
Yang T, Fukuda R, Hosokawa S, Tanaka T, Sakaki S, Ehara M. A Theoretical Investigation on CO Oxidation by Single-Atom Catalysts M. ChemCatChem. 2017 Apr 07;9(7):1222-1229. doi: 10.1002/cctc.201601713. Epub 2017 Mar 16. PMID: 28515795; PMCID: PMC5413816.
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ChemCatChem. 2017 Apr 07;9(7):1222-1229. doi: 10.1002/cctc.201601713. Epub 2017 Mar 16.

A Theoretical Investigation on CO Oxidation by Single-Atom Catalysts M.

ChemCatChem

Tao Yang, Ryoichi Fukuda, Saburo Hosokawa, Tsunehiro Tanaka, Shigeyoshi Sakaki, Masahiro Ehara

Affiliations

  1. Research Center for Computational Science Institute for Molecular Science Myodaiji Okazaki 444-8585 Japan.
  2. Elements Strategy Initiative for Catalysts and Batteries (ESICB) Kyoto University Kyoto 615-8510 Japan.
  3. Department of Molecular Engineering Graduate School of Engineering Kyoto University Kyoto 615-8510 Japan.
  4. Fukui Institute for Fundamental Chemistry Kyoto University Kyoto 606-8103 Japan.

PMID: 28515795 PMCID: PMC5413816 DOI: 10.1002/cctc.201601713

Abstract

Single-atom catalysts have attracted much interest recently because of their excellent stability, high catalytic activity, and remarkable atom efficiency. Inspired by the recent experimental discovery of a highly efficient single-atom catalyst Pd

Keywords: CO oxidation; density functional theory; heterogeneous catalysis; single-atom catalyst; structure–activity relationships

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