相关实验视频

Updated: Jun 12, 2025

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

12.8K

揭示了表面氧化通过量化反应动力学在水处理异质催化中的关键作用

Tonghe Zhu1, Yunfei Xu1, Xinglin Lu1,2

  • 1State Key Laboratory of Advanced Environmental Technology, Department of Environmental Science and Engineering, University of Science and Technology of China, Hefei 230026, China.

Environmental science & technology
|June 11, 2025
PubMed
概括

这项研究开发了一种测量催化剂表面反应速率的新方法. 它准确量化了表面动力学,改善了在环境修复中对有机氧化的预测.

关键词:
不同质的催化剂.准替代的醇可以被替代.定量结构 - 活动关系关系.选择性氧化选择性氧化固相氧化过程中的固相氧化过程.

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