Machine Learning-Accelerated Discovery of A2BC2 Ternary Electrides with Diverse Anionic Electron Densities

Author:

Wang Zhiqi1,Gong Yutong1ORCID,Evans Matthew L.2,Yan Yujing1,Wang Shiyao1,Miao Nanxi1,Zheng Ruiheng1,Rignanese Gian-Marco12ORCID,Wang Junjie1ORCID

Affiliation:

1. State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi’an, Shaanxi 710072, People’s Republic of China

2. IMCN-MODL, Université Catholique de Louvain, Chemin des Étoiles, 8, Louvain-la-Neuve B-1348, Belgium

Funder

National Key Research and Development Program of China

China Postdoctoral Science Foundation

H2020 Marie Sklodowska-Curie Actions

Fundamental Research Funds for the Central Universities

National Natural Science Foundation of China

Innovation Foundation for Doctor Dissertation of Northwestern Polytechnical University

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

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