Effect of electronic structures on catalytic properties of CuNi alloy and Pd in MeOH-related reactions

An Pang Tsai, Tomofumi Kimura, Yukinori Suzuki, Satoshi Kameoka, Masahiko Shimoda, Yasushi Ishii

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

We investigated the catalytic properties of a CuNi solid solution and Pd for methanol-related reactions and associated valence electronic structures. Calculations and X-ray photoelectron spectroscopy measurements revealed that the CuNi alloy has a similar valence electronic structure to Pd and hence they exhibited similar CO selectivities in steam reforming of methanol and decomposition of methanol. Samples prepared by various processes were found to have similar CO selectivities. We conjecture that alloying of Cu and Ni dramatically alters the valence electronic structures, making it similar to that of Pd so that the alloy exhibits similar catalytic properties to Pd. First-principles slab calculations of surface electronic structures support this conjecture.

Original languageEnglish
Article number144701
JournalJournal of Chemical Physics
Volume138
Issue number14
DOIs
Publication statusPublished - 2013 Apr 14

ASJC Scopus subject areas

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

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