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

Wang, Zhiqi; Gong, Yutong; Evans, Matthew L; Yan, Yujing; Wang, Shiyao; Miao, Nanxi; Zheng, Ruiheng; Rignanese, Gian-Marco; Wang, Junjie

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

Wang, Zhiqi; Gong, Yutong; Evans, Matthew L; Yan, Yujing; Wang, Shiyao; Miao, Nanxi; Zheng, Ruiheng; Rignanese, Gian-Marco; Wang, Junjie.

Afiliação

Wang Z; State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an, Shaanxi 710072, People's Republic of China.
Gong Y; State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an, Shaanxi 710072, People's Republic of China.
Evans ML; IMCN-MODL, Université Catholique de Louvain, Chemin des Étoiles, 8, Louvain-la-Neuve B-1348, Belgium.
Yan Y; State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an, Shaanxi 710072, People's Republic of China.
Wang S; State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an, Shaanxi 710072, People's Republic of China.
Miao N; State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an, Shaanxi 710072, People's Republic of China.
Zheng R; State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an, Shaanxi 710072, People's Republic of China.
Rignanese GM; State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an, Shaanxi 710072, People's Republic of China.
Wang J; IMCN-MODL, Université Catholique de Louvain, Chemin des Étoiles, 8, Louvain-la-Neuve B-1348, Belgium.

J Am Chem Soc ; 145(48): 26412-26424, 2023 Dec 06.

Article em En | MEDLINE | ID: mdl-37988742

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article