Resolving the “CO puzzle”: Disentangling electronic structure and dynamic effects via an <i>operando</i> dynamics framework
Year: 2025
Type: article
Language: en
Topic: Machine Learning in Materials Science
Authors and affiliations:
raw_author_name: Zhiyuan Wei
raw_affiliation_strings: College of Chemistry, Fuzhou University 1 , Fuzhou 350116,
Fujian College, University of Chinese Academy of Sciences 3 , Fuzhou 350002,
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences 2 , Fuzhou 350002,
College of Chemistry, Fuzhou University, Fuzhou 350116, People's Republic of China
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, People's Republic of China
Fujian College, University of Chinese Academy of Sciences, Fuzhou 350002, People's Republic of China
raw_author_name: Jin-En He
raw_affiliation_strings: College of Chemistry, Fuzhou University 1 , Fuzhou 350116,
Fujian College, University of Chinese Academy of Sciences 3 , Fuzhou 350002,
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences 2 , Fuzhou 350002,
Fujian College, University of Chinese Academy of Sciences, Fuzhou 350002, People's Republic of China
College of Chemistry, Fuzhou University, Fuzhou 350116, People's Republic of China
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, People's Republic of China
raw_author_name: Siwu Li
raw_affiliation_strings: State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences 2 , Fuzhou 350002,
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, People's Republic of China
raw_author_name: Zhe-Ning Chen
raw_affiliation_strings: Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry 5 , Xiamen 361005,
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences 2 , Fuzhou 350002,
University of Chinese Academy of Sciences 4 , Beijing 101408,
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, People's Republic of China
University of Chinese Academy of Sciences, Beijing 101408, People's Republic of China
Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen 361005, People's Republic of China
raw_author_name: Lu Zhang
raw_affiliation_strings: Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry 5 , Xiamen 361005,
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences 2 , Fuzhou 350002,
University of Chinese Academy of Sciences 4 , Beijing 101408,
University of Chinese Academy of Sciences, Beijing 101408, People's Republic of China
Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen 361005, People's Republic of China
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, People's Republic of China
raw_author_name: Jun Chen
raw_affiliation_strings: Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry 5 , Xiamen 361005,
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences 2 , Fuzhou 350002,
University of Chinese Academy of Sciences 4 , Beijing 101408,
University of Chinese Academy of Sciences, Beijing 101408, People's Republic of China
Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen 361005, People's Republic of China
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, People's Republic of China