論文

査読有り
2016年9月

Role of Gold Atoms in Oxidation and Reduction of Cationic Rhodium-Gold Oxide Clusters, RhnAumOk+, Studied by Thermal Desorption Spectrometry and DFT Calculations

JOURNAL OF PHYSICAL CHEMISTRY C
  • Fumitaka Mafune
  • ,
  • Satoshi Kudoh
  • ,
  • Masato Takenouchi

120
34
開始ページ
19280
終了ページ
19285
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1021/acs.jpcc.6b06982
出版者・発行元
AMER CHEMICAL SOC

The effect of Au atom addition to Rh on redox reactions was investigated by measuring the oxidation rate constants and threshold energies of the thermal reduction of gas-phase rhodium gold oxide clusters, RhnAumOk+ (n = 4-8; m = 0, 1, 2) and by density functional theory (DFT) calculation. The thermally stable clusters at similar to 800 K were found to be RhnAumOn+ regardless of m, suggesting that Au atoms are less or negatively involved in stabilization of the oxides. The DFT calculations on the stable Rh6AumO6+ clusters showed that Au atoms bind to Rh atoms, keeping O atoms away from the Au atoms. Electronically, the Au atoms reduced the natural charges of Rh and O atoms, forming superoxide, O. The Au atoms are considered to have an oxidation state of -1 in Rh6Au2O6+.

Web of Science ® 被引用回数 : 1

リンク情報
DOI
https://doi.org/10.1021/acs.jpcc.6b06982
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000382596900037&DestApp=WOS_CPL