Recent progress on the prediction of two-dimensional materials using CALYPSO
Tang Cheng, Kour Gurpreet, Du Aijun
       

(a) Zigzag Ti chain and n-biphenyl structural unit in TiC3 monolayer and its ELF maps.[152] (b) Cohesive energies of predicted Ti1−xSix monolayers and three stable structures under different composition.[97] (c) Formation enthalpy versus concentration (y) for GexPy and stable structures.[76] Reprinted with permission from Ref. [152], Copyright 2018 American Chemical Society. Ref. [97], Copyright 2016 American Chemical Society. Ref. [76], Copyright 2018 American Chemical Society.