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Updated: Jul 14, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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均質な水の酸化触媒における触媒段階の電子構造とエネルギーの相関

Daan den Boer1, Dennis G H Hetterscheid1

  • 1Leiden Institute of Chemistry, Leiden University, 2300RA, Leiden, The Netherlands.

Journal of the American Chemical Society
|October 10, 2023
PubMed
まとめ

ルテニウム触媒を電子ドナーまたは抽出グループで改変すると,水の酸化段階に影響します. 電子を取り除くグループは酸化ポテンシャルをシフトし,電気触媒の新しい設計ルールを提供します.

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