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

研究成果: Article査読

11 被引用数 (Scopus)

抄録

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.

本文言語English
ページ(範囲)73-76
ページ数4
ジャーナルChemical Physics Letters
711
DOI
出版ステータスPublished - 2018 11

ASJC Scopus subject areas

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

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