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cond-mat.mtrl-sci2019★ 40 cited
Exploring the role of electronic structure on photo-catalytic behavior of carbon-nitride polymorphs
Sujoy Datta, Prashant Singh, Debnarayan Jana +4
A fully self-consistent density-functional theory (DFT) with improved functionals is used to provide a comprehensive account of structural, electronic, and optical properties of C$…
physics.comp-ph2019
Electronic and optical properties of Germagraphene, a direct band-gap semiconductor
Sujoy Datta, Debnarayan Jana, Chhanda Basu Chaudhuri +1
In this communication, we report a theoretical attempt to understand the electronic and optical properties of germagraphene, a two-dimensional graphene analogue. We study two diffe…