First-Principles Study of Structural, Electronic, Thermal, and Optical Properties of Quasi-2D C2 N2 O Using GGA and HSE06

Hemn. G. H, Nzar. R. Abdullah, Vidar Gudmundsson

DFT and AIMD are used to investigate the structural, stability, electronic, thermal, and optical properties of the quasi-2D C2N2O structure. The structure exhibits thermal and ener…