Theoretical investigation on structural effects of Pt–Mn catalyst on activity and selectivity for methylcyclohexane dehydrogenation

Shota Manabe, Tomohiro Yabe, Atsushi Nakano, Satoshi Nagatake, Takuma Higo, Shuhei Ogo, Hiromi Nakai, Yasushi Sekine

Research output: Contribution to journalArticle

Abstract

The structure of Pt-Mn/Al2O3 catalyst which shows high performance for dehydrogenation of methylcyclohexane, a prospective hydrogen carrier, was investigated by XAFS and DFT calculations. Mn addition on Pt/Al2O3 brings higher activity, selectivity, and stability for dehydrogenation of MCH than with Pt/Al2O3 alone. Results of XAFS and DFT calculations revealed that MnOx selectively covered the unsaturated coordination of Pt. On the unsaturated step facets such as Pt (1 1 0) and Pt (3 1 1), demethylation proceeds easily. Addition of Mn on Pt/Al2O3 catalyst brought selective dehydrogenation of MCH by coverage of such step sites with MnOx.

Original languageEnglish
Pages (from-to)73-76
Number of pages4
JournalChemical Physics Letters
Volume711
DOIs
Publication statusPublished - 2018 Nov 1

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Catalyst selectivity
Dehydrogenation
dehydrogenation
Catalyst activity
selectivity
catalysts
Discrete Fourier transforms
Catalysts
Hydrogen
flat surfaces
hydrogen
methylcyclohexane

Keywords

  • Dehydrogenation of methylcyclohexane
  • DFT
  • Hydrogen carrier
  • Unsaturated coordination
  • XAFS

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Theoretical investigation on structural effects of Pt–Mn catalyst on activity and selectivity for methylcyclohexane dehydrogenation. / Manabe, Shota; Yabe, Tomohiro; Nakano, Atsushi; Nagatake, Satoshi; Higo, Takuma; Ogo, Shuhei; Nakai, Hiromi; Sekine, Yasushi.

In: Chemical Physics Letters, Vol. 711, 01.11.2018, p. 73-76.

Research output: Contribution to journalArticle

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AU - Manabe, Shota

AU - Yabe, Tomohiro

AU - Nakano, Atsushi

AU - Nagatake, Satoshi

AU - Higo, Takuma

AU - Ogo, Shuhei

AU - Nakai, Hiromi

AU - Sekine, Yasushi

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