在TMN4-石墨烯中定制金属,轴联体和碳基质用于直接海水电解:采用密度函数理论和机器学习算法的一种协同方法

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Wenhao Miao1, Qiuling Jiang2, Xiuxuan Hou2

  • 1College of Chemical Engineering, Inner Mongolia University of Technology, Inner Mongolia Key Laboratory of Theoretical and Computational Chemistry Simulation, Hohhot 010051, PR China.

Journal of colloid and interface science
|August 16, 2025
PubMed
概括

研究人员开发了144种用于直接海水电解的催化剂,确定了高效气生成的有希望的候选者. 机器学习确定了控制催化活性的关键特性,为改进电催化剂设计铺平了道路.

关键词:
具有竞争力的化物氧化反应.密度函数理论密度函数理论直接的海水电解是海水的电解.机器学习 机器学习氧的演化反应反应的反应.单原子催化剂是一个单原子催化剂.

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