Tuning the Dissociative Action of Cationic Rh Clusters Toward NO by Substituting a Single Ta Atom

Masato Yamaguchi, Satoshi Kudoh, Ken Miyajima, Olga V. Lushchikova, Joost M. Bakker, Fumitaka Mafuné

研究成果: ジャーナルへの寄稿学術誌査読

12 被引用数 (Scopus)

抄録

Modification of Rh chemical activity for decomposition of NO by alloying with Ta was studied by vibrational spectroscopy of gas-phase clusters, where one single Rh atom was substituted by Ta, with NO adsorbed. While NO adsorbs molecularly on pure Rh clusters, it was found to adsorb dissociatively on Rh n Ta + (n = 2-8) with the O bound to the Ta on-top site. A reaction path for NO decomposition obtained by density functional theory calculations for octahedral Rh 5 Ta + and Rh 6 + suggests that the Ta oxygen affinity strongly reduces the energy barrier right before bond cleavage, facilitating NO dissociation. The trend is consistent with the Bell-Evans-Polanyi principle. The addition of other less oxophilic dopant atoms could plausibly enhance catalytic reactivity of Rh.

本文言語英語
ページ(範囲)3476-3481
ページ数6
ジャーナルJournal of Physical Chemistry C
123
6
DOI
出版ステータス出版済み - 2月 14 2019
外部発表はい

!!!All Science Journal Classification (ASJC) codes

  • 電子材料、光学材料、および磁性材料
  • エネルギー(全般)
  • 物理化学および理論化学
  • 表面、皮膜および薄膜

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