234 citations · 877 across the 36 of their papers we have counts for
3 papers · 1 filter
Functionalization of edge reconstructed graphene nanoribbons by H and Fe: A density functional study
Soumyajyoti Haldar, Sumanta Bhandary, Satadeep Bhattacharjee +3
In this paper, we have studied functionalization of 5-7 edge-reconstructed graphene nanoribbons by ab initio density functional calculations. Our studies show that hydrogenation at…
Magnetic impurities in graphane with dehydrogenated channels
Soumyajyoti Haldar, Dilip G. Kanhere, Biplab Sanyal
We have investigated the electronic and magnetic response of a single Fe atom and a pair of interacting Fe atoms placed in patterned dehydrogenated channels in graphane within the…
Metallic clusters on a model surface: quantum versus geometric effects
S. A. Blundell, Soumyajyoti Haldar, D. G. Kanhere
We determine the structure and melting behavior of supported metallic clusters using an ab initio density-functional-based treatment of intracluster interactions and an approximate…