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Updated: Jan 8, 2026

Temperature-programmed Deoxygenation of Acetic Acid on Molybdenum Carbide Catalysts
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层次嵌入球体模型:可解释的ML引导的多层次描述器 工程解码TM@MO2催化剂上的OER活动

Ziyuan Li1, Shan Gao1, Yunhan Wang1

  • 1School of Physical Science and Technology, Ningbo University, Ningbo, China.

Advanced science (Weinheim, Baden-Wurttemberg, Germany)
|December 19, 2025
PubMed
概括

一个新的层次嵌入球体模型 (HESM) 通过结合电子结构和局部协调来预测过渡金属氧化物中的催化活性. 这种方法有助于设计高效的电催化剂.

关键词:
开放式电源电催化器 (OER) 的电催化器描述器 工程学 描述器可以解释的机器学习.多尺度的几何电子合器.取决于位点的吸附行为

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