46 citations · 194 across the 8 of their papers we have counts for
8 papers
First principles studies of the surface and opto-electronic properties of ultra-thin t-Se
S. K. Barman, M. N. Huda, J. Asaadi +2
Selenium is a crucial earth-abundant and non-toxic semiconductor with a wide range of applications across the semiconductor industries. Selenium has drawn attention from scientific…
Mobility and Clustering of Barium Ions and Dications in High Pressure Xenon Gas
E. Bainglass, B. J. P. Jones, F. W. Foss +2
The clustering and drift properties of barium ions in xenon gas are explored theoretically, using density functional theory and computational ion mobility theory, with the goal of…
A density functional study of molecular oxygen adsorption and reaction barrier on Pu (100) surface
M. N. Huda, A. K. Ray
Oxygen molecule adsorptions on a Pu (100) surface have been studied in detail, using the generalized gradient approximation to density functional theory. Dissociative adsorption wi…
A Density Functional Study of O2 Adsorption on (100) Surface of gamma-Uranium
M. N. Huda, A. K. Ray
We have studied the chemisorption processes of O2 on the (100) surface of uranium using generalized gradient approximation to density functional theory. Dissociative adsorptions of…
A Density Functional Study of Atomic Hydrogen Adsorption on Plutonium Layers
M. N. Huda, A. K. Ray
Hydrogen adsorption on delta-Pu (100) and (111) surfaces using the generalized gradient approximation of the density functional theory with Perdew and Wang functionals have been st…
Electronic Structures and Bonding of Oxygen on Plutonium Layers
M. N. Huda, A. K. Ray
Oxygen adsorption on delta-Pu (100) and (111) surfaces have been studied at both non-spin-polarized and spin-polarized levels using the generalized gradient approximation of densit…