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Updated: Jun 10, 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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在RuP表面上对甲醇脱机制的DFT研究

Hao Lu1, Yuan Zhong1, Yao Jie1

  • 1State Key Laboratory of Chemical Resource Engineering, College of Chemistry, Beijing University of Chemical Technology, Beijing 100029, China. yanhong@mail.buct.edu.cn.

Physical chemistry chemical physics : PCCP
|October 16, 2024
PubMed
概括

在催化剂中引入可以增强甲醇脱以获得能. 这提高了催化剂的活性和稳定性,减少了CO中毒和焦化.

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