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cond-mat.mtrl-sci2021★ 22 cited
Strain Engineering of 2D-C3N5 Monolayer and its Application in Overall Water-Splitting: A Hybrid Density Functional Study
Shakti Singh, P. Anees, Sharat Chandra +1
The recent experimental synthesis of 2D graphitic C3N5 has attracted lot of interests in its electronic and optical properties and its comparison with other graphitic C3N4 and C3N3…
cond-mat.mtrl-sci2021★ 6 cited
Developing atomistic glass models using potential-free Monte Carlo method: From simple to complex structures
Shakti Singh, Sharat Chandra
We propose here a method to generate random networked amorphous structure using only readily available short-range properties like bond lengths, bond angles and connectivity of the…