机译:基于Graphdiyne的双原子催化剂的自验证机器学习研究
Hong Kong Polytech Univ Dept Appl Biol & Chem Technol Kowloon Hung Hom Hong Kong Peoples R China;
Hong Kong Polytech Univ Dept Appl Biol & Chem Technol Kowloon Hung Hom Hong Kong Peoples R China;
Hong Kong Appl Sci & Technol Res Inst Hong Kong Peoples R China;
Hong Kong Polytech Univ Dept Appl Biol & Chem Technol Kowloon Hung Hom Hong Kong Peoples R China;
Hong Kong Polytech Univ Dept Appl Biol & Chem Technol Kowloon Hung Hom Hong Kong Peoples R China;
Chinese Acad Sci Inst Chem Beijing 100190 Peoples R China;
Peking Univ Coll Chem & Mol Engn State Key Lab Rare Earth Mat Chem & Applicat Beijing Natl Lab Mol Sci PKU HKU Joint Lab Rare E Beijing 100871 Peoples R China|Lanzhou Univ Coll Chem & Chem Engn Res Ctr Biomed Nanotechnol Lanzhou 730000 Peoples R China;
dual#8208; atomic catalysts; f#8211; d orbital couplings; graphdiyne; machine learning; self#8208; validation;