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Updated: Aug 13, 2026

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在Mo2C(001) 和Mo2C(101) 表面上对甲醇分解进行比较DFT研究

Yun Shi1

  • 1School of Chemistry & Chemical Engineering, Linyi University, Linyi, 276000, China. shiyun@lyu.edu.cn.

Journal of molecular modeling
|July 6, 2023
PubMed
概括

在Mo2C表面的甲醇分解产生了不同的产品. Mo2C ((001) 产生C,O和H,而Mo2C ((101) 偏好CH4或CO和H2,这取决于反应路径和速度决定的步骤.

关键词:
分解分解是指分解.密度函数理论密度函数理论甲醇是甲醇中的一种.在Mo2C催化剂中.

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