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Updated: May 31, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

単一サイトルテニウム-ヘテロポリトングステート複合体による水の酸化の触媒機構

Masato Murakami1, Dachao Hong, Tomoyoshi Suenobu

  • 1Department of Material and Life Science, Graduate School of Engineering, Osaka University, Suita, Osaka 565-0871, Japan.

Journal of the American Chemical Society
|June 28, 2011
PubMed
まとめ

ヘテロポリチューングステート触媒を備えたルテニウム複合体は,水から酸素を効率的に生成します. 同位体研究により,酸素源が確認され,Ru(V) -oxo種が触媒性水酸化機構の鍵となっている.

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