通过化过渡金属对MXenes的进化反应性能进行调制:对高吞吐量计算和机器学习的全面探索

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Updated: May 15, 2025

Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production
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Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production

Published on: December 6, 2021

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Sen Lu1,2, Zhiguo Wang1,2, Zhikai Gao1,2

  • 1School of Mechanical Engineering, Shaanxi University of Technology, Hanzhong, Shaanxi 723001, China.

ACS applied materials & interfaces
|April 10, 2025
PubMed
概括

过渡金属兴奋剂增强MXenes用于演化反应 (HER) 催化. 一个预测模型迅速确定了Nb,Sc,Rh,W,Ti和V作为有效的HER催化剂的有效兴奋剂.

关键词:
催化性能规则 催化性能规则密度函数理论密度函数理论气演化反应反应的反应机器学习是机器学习.多地点预测模型

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Catalytic hydrogenation of alkenes is a transition-metal catalyzed reduction of the double bond using molecular hydrogen to give alkanes. The mode of hydrogen addition follows syn stereochemistry.
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