Unveiling high-performance single-atom alloy catalysts for alkane dehydrogenation through DFT and machine learning synergy

作者：Haisong Feng, Zhen Ge, Yuan Deng, Pengxin Pu, Shiquan Zhao, Xin Song, Hao Yuan, Yaze Wu, Jing Yang, Yubing Si, Antonio Politano, Xin Zhang, Yong‐Wei Zhang · 发表于：Journal of Catalysis · 年份：2025 · DOI：10.1016/j.jcat.2025.116213 · 被引用次数：10 · 研究领域：Catalysis and Oxidation Reactions、Machine Learning in Materials Science、Catalytic Processes in Materials Science