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Updated: May 22, 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

水媒介の陽子は,酸化鉄の表面にジャンプする

Lindsay R Merte1, Guowen Peng, Ralf Bechstein

  • 1Interdisciplinary Nanoscience Center and Department of Physics and Astronomy, Aarhus University, DK-8000 Aarhus C, Denmark.

Science (New York, N.Y.)
|May 19, 2012
PubMed
まとめ

水分子は,酸化鉄の表面に水素の拡散を促進し,新しい陽子転送機構を明らかにします. この研究では,スキャニングトンネル顕微鏡 (STM) と計算方法を使用して,このプロセスを観察しました.

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Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy

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Protein Film Infrared Electrochemistry Demonstrated for Study of H2 Oxidation by a [NiFe] Hydrogenase10:01

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