Recent progress on the prediction of two-dimensional materials using CALYPSO

作者: Cheng Tang , Gurpreet Kour , Aijun Du

DOI: 10.1088/1674-1056/AB41EA

关键词: SoftwareSystems engineeringPhotovoltaicsElectronicsEngineeringStructure design

摘要: … (a) Zigzag Ti chain and n-biphenyl structural unit in TiC 3 monolayer and its ELF maps. [152] (b) Cohesive energies of predicted Ti 1−x Si x monolayers and three stable structures under …

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