Informatics-Driven Design of Superhard B-C-O Compounds.

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第一作者： Madhubanti,Mukherjee

第一单位： School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, United States.

作者： Madhubanti,Mukherjee ^[1] ; Harikrishna,Sahu ^[1] ; Mark D,Losego ^[1] ; Will R,Gutekunst ^[2] ; Rampi,Ramprasad ^[1]

作者单位： School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, United States. ^[1] School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332, United States. ^[2]

关键词 B?C?O chemical space DFT Vicker’s hardness crystal structure search elastic moduli machine learning (ML)superhard

DOI 10.1021/acsami.3c18105

PMID 38367252

发布时间 2024-03-06

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