419 citations · 616 across the 17 of their papers we have counts for
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Intrinsic Half-Metallicity in Modified Graphene Nanoribbons
Sudipta Dutta, Arun K. Manna, Swapan K. Pati
We perform first-principles calculations based on density functional theory to study quasi one-dimensional edge-passivated (with hydrogen) zigzag graphene nanoribbons (ZGNRs) of va…
Comparative study of the electron conduction in azulene and naphthalene
Sudipta Dutta, S. Lakshmi, Swapan K. Pati
We have studied the feasibility of electron conduction in azulene molecule and compared with that in its isomer naphthalene. We have used non-equilibrium Green's function formalism…
Molecular Electronics: Effect of external electric field
S. Lakshmi, Sudipta Dutta, Swapan K. Pati
The effect of electric field, applied on systems in the nanoscale regime has attracted a lot of research in recent times. We highlight some of the recent results in the field of si…
Semiconductor to metal transition in SWNTs caused by interaction with gold and platinum nanoparticles
Rakesh Voggu, Shrinwantu Paul, Swapan K. Pati +1
Single-walled carbon nanotubes (SWNTs) have been coated with gold and platinum nanoparticles either by microwave treatment or by the click reaction and the Raman spectra of these S…
Half-Metallicity in Undoped and Boron Doped Graphene Nanoribbons in Presence of Semi-local Exchange-Correlation Interactions
Sudipta Dutta, Swapan K. Pati
We perform density functional calculations on one-dimensional zigzag edge graphene nano-ribbons (ZGNRs) of different widths, with and without edge doping including semi-local excha…
Effect of Protonation on the electronic properties of DNA base pairs: Applications for molecular electronics
Sairam S. Mallajosyula, Swapan K Pati
Protonation of DNA basepairs is a reversible phenomenon which can be controlled by tuning the pH of the system. Under mild acidic conditions, the hydrogen bonding pattern of the DN…