124 citations · 369 across the 16 of their papers we have counts for
16 papers
Self-healing in unpassivated and passivated CdTe nanostructures: structural stability and optical properties
Kashinath T Chavan, Sharat Chandra
We report the effects of passivation on the various properties like electronic structure, structural stability and optical properties of CdTe in the different nanostructure forms s…
Structural stability, electronic structure and optical properties of dimension controlled self-assembled structures from clusters of cadmium telluride
Kashinath T Chavan, Sharat Chandra
We report the first principle theory-based study of stability, electronic structure and optical properties of cluster assembled materials in various 1D, 2D and 3D nanostructures us…
Tunnel Barrier to Spin Filter: Electronic Transport Characteristics of Transition Metal Atom Encapsulated in Smallest Cadmium Telluride Cage
Kashinath T Chavan, Sharat Chandra, Anjali Kshirsagar
We report first principles theory-based comparative electronic transport studies performed for an atomic chain of Au, bare Cd9Te9 cage-like cluster and single transition metal (TM)…
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…
Half-Metallicity in Smallest Cage-like Cluster of CdTe with Doping of Transition Metal Atoms
Kashinath Tukaram Chavan, Sharat Chandra, Anjali Kshirsagar
We report first principles theory based electronic structure studies of a semiconducting stoichiometric cage-like Cd9Te9 cluster. Substantial changes are observed in the electronic…
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…