25 citations · 71 across the 3 of their papers we have counts for
3 papers
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…
Ab initio studies of structures and properties of small potassium clusters
Arup Banerjee, Tapan K. Ghanty, Aparna Chakrabarti
We have studied the structure and properties of potassium clusters containing even number of atoms ranging from 2 to 20 at the ab initio level. The geometry optimization calculatio…
Time-dependent density functional theory calculation of van der Waals coefficient of sodium clusters
Arup Banerjee, Aparna Chakrabarti, Tapan K. Ghanty
In this paper we employ all-electron \textit{ab-initio} time-dependent density functional theory based method to calculate the long range dipole-dipole dispersion coefficient (van…