60 citations · 62 across the 6 of their papers we have counts for
7 papers
Electric field and Strain-induced Band-gap Engineering and Manipulation of the Rashba Spin Splitting in Janus van der Waals Heterostructures
Shubham Patel, Urmimala Dey, Narayan Prasad Adhikari +1
The compositional as well as structural asymmetries in Janus transition metal dichalcogenides (J-TMDs) and their van der Waals heterostructures (vdW HSs) induce an intrinsic Rashba…
Molecular Dynamics Study of Transport Properties of Cysteine in Water
Hem Prasad Bhusal, Narayan Prasad Adhikari
Molecular dynamics simulation is a prominent way of analyzing the dynamic properties of a system. The molecular dynamics simulation of diffusion, an important transport property, o…
Transport properties of Valine in water at different temperatures
Deepak Pandey, Narayan Prasad Adhikari
Molecular Dynamics simulations of Valine in water and their binary mixtures ( =0.003 \& =0.997, representing the mole fraction) have been accomplished at te…
Transport properties of Gamma-Aminobutyric Acid in water
Esha Mishra, Narayan Prasad Adhikari
In the present work, molecular dynamics study of diffusion of Gamma Aminobutyric acid in water at different temperatures 298.2 K, 303.2 K, 313.2 K, 323.2 K, 333.2 K have been perfo…
Transport properties of Methane, Ethane, Propane, and n-Butane in Water
Sunil Pokharel, Narayan Aryal, Bhakta Raj Niraula +2
In this work, we have estimated self diffusion coefficients along with the binary diffusion coefficients of mixtures of alkane (methane, ethane, propane and n-butane) in SPC/E wate…
Diffusion of Zwitterion Glycine, Diglycine, and Triglycine in Water
Yadav Prasad Kandel, Narayan Prasad Adhikari
Diffusion, transport of mass in response to concentration and thermal energy gradient, is an important transport property, vital in material science and life science. In the presen…
First-principles DFT study for the structural stability of Hydrogen passivated graphene (H-graphene) and atomic adsorption of oxygen on H-graphene with different schemes
Deepak B Karki, Narayan P Adhikari
First-principles DFT levels of calculations have been carried out in order to study the structural stability and electronic properties of hydrogen passivated graphene (H-graphene)…