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Updated: Oct 25, 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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ストキャスティック衝突電気化学による電極界面におけるダイナミックポテンシャル分布の理解

Si-Min Lu1,2, Jian-Fu Chen3, Yue-Yi Peng1,2

  • 1State Key Laboratory of Analytical Chemistry for Life Science, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210023, P. R. China.

Journal of the American Chemical Society
|August 4, 2021
PubMed
まとめ

新しい金属-溶液-金属ナノ粒子 (M-S-MNP) モデルは,ナノ粒子衝突時に動的潜在分布を明らかにする. このモデルは,古典的なGouy-Chapman-Sternモデルとは異なり,ナノスケールの電気化学を正確に記述しています.

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