Density functional theory study on the reaction mechanism of reductants for electroless Ag deposition process

Takuya Shimada*, Hiromi Nakai, Takayuki Homma

*この研究の対応する著者

研究成果: Article査読

10 被引用数 (Scopus)

抄録

Oxidation reaction mechanisms of reductants for electroless Ag deposition process were investigated using density functional theory calculation, focusing upon behavior of the reaction intermediate species. It was indicated that the oxidation processes of reductants, such as dimethylamine borane, formaldehyde, and hypophosphite ion, on the Ag surface are initiated by addition of O H- and proceed via five-coordinate intermediate species. Catalytic activity of the Ag surface for the oxidation reaction of the reductants was investigated by using energy density analysis, focusing upon the local interaction of the species. The results indicated that the adsorption of the reductants onto the Ag surface is driven by destabilization of the reductant and stabilization of the Ag surface. It was also indicated that the destabilization of the five-coordinate intermediate species at the Ag surface is a key factor of the "catalytic activity" for the oxidation reaction. In the case of the reaction of formaldehyde, in which the Ag surface acts as catalyst, the intermediates were considerably activated at the Ag surface, whereas such an effect was not clearly seen with the hypophosphite ion, for which the Ag surface is not catalytic. It was also suggested that the activation of the intermediates is affected by coordination behavior of O H- species.

本文言語English
ページ(範囲)D273-D276
ジャーナルJournal of the Electrochemical Society
154
4
DOI
出版ステータスPublished - 2007 3 16

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • 再生可能エネルギー、持続可能性、環境
  • 表面、皮膜および薄膜
  • 電気化学
  • 材料化学

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