123 citations · 393 across the 9 of their papers we have counts for
3 papers · 2 filters
Melting of Partially Fluorinated Graphene: From Detachment of Fluorine Atoms to Large Defects and Random Coils
Sandeep Kumar Singh, S. Costamagna, M. Neek-Amal +1
The melting of fluorographene is very unusual and depends strongly on the degree of fluorination. For temperatures below 1000 K, fully fluorinated graphene (FFG) is thermo-mechanic…
Melting of graphene clusters
Sandeep Kumar Singh, M. Neek-Amal, F. M. Peeters
Density-functional tight-binding and classical molecular dynamics simulations are used to investigate the structural deformations and melting of planar carbon nano-clusters …
Vibrational properties of nanographene
Sandeep Kumar Singh, F. M. Peeters
The eigenmodes and the vibrational density of states of the ground state configuration of graphene clusters are calculated using atomistic simulations. The modified Brenner potenti…