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Updated: Jul 18, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Published on: April 12, 2019

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一个模型的酸化学IrO2 催化界面

Abhinav S Raman1, Annabella Selloni1

  • 1Department of Chemistry, Princeton University, Princeton, New Jersey 08544, United States.

The journal of physical chemistry letters
|August 24, 2023
PubMed
概括

氧化 (IrO2) 是氧化演化反应 (OER) 的关键催化剂. 这项研究揭示了IrO2-水接口的快速质子转移,表明OER.

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