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Updated: Sep 14, 2025

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

Published on: April 12, 2019

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特定のイオン特性は,空気-水界面での自発的なH2O2生成を誘導する

Yoan Carreira Mendes Da Silva1, Maria Angelaki1, D James Donaldson2,3

  • 1Universite Claude Bernard Lyon 1, CNRS, IRCELYON, UMR 5256, Villeurbanne F-69100, France.

Journal of the American Chemical Society
|July 23, 2025
PubMed
まとめ

水滴における自発的な過酸化水素 (H2O2) 形成は,電場だけでなく,イオン同一性に関連しています. アニオンは,空気と水のインターフェイスで水の構造を変えることで,酸化物質の生成に大きく影響します.

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