110 citations · 245 across the 13 of their papers we have counts for
3 papers · 1 filter
From graphene to graphane : A density functional investigation of metal insulator transition
Prachi Chandrachud, Bhalchandra S. Pujari, D. G. Kanhere
While graphene is a semi-metal, recently synthesized hydrogenated graphene called graphane, turns out to be an insulator. We have probed the metal insulator Transition in graphene-…
Geometric, electronic properties and the thermodynamics of pure and Al--doped Li clusters
Mal--Soon Lee, S. Gowtham, Haiying He +3
The first--principles density functional molecular dynamics simulations have been carried out to investigate the geometric, the electronic, and the finite temperature properties of…
Dopant Induced Stabilization of Silicon Cluster at Finite Temperature
Shahab Zorriasatein, Kavita Joshi, D. G. Kanhere
With the advances in miniaturization, understanding and controlling properties of significant technological systems like silicon in nano regime assumes considerable importance. It…