19 citations · 25 across the 9 of their papers we have counts for
9 papers
Van der Waals heterostructure configuration effect on exciton and thermoelectric characteristics
Eyasu Tadesse Muda, Tewodros Eyob Ada, Kenate Nemera Nigussa +1
A GW calculation based on a truncated Coulomb interaction with an added small q limit was applied to 2D van der Waals heterolayered structures, and the Kane dispersion model was us…
Mxenes for CO reduction and catalytically improved liquid hydrogen storage vie reverse water gas shift reaction
Tewodros Eyob Ada, Kenate Nemera Nigussa, Cecil N. M. Ouma
The catalytic reduction of is an appealing approach for reducing greenhouse gas concentrations while also producing renewable energy. We used two-dimensional t…
Study of novel properties of graphene-ZnO heterojunction interface using density functional theory
H. D. Etea, K. N. Nigussa
Studies of the structural, electronic, and optical characteristics of the interfaces between graphene and ZnO polar surfaces is carried out using first-principles simulations. At t…
DFT + U Study of structural, electronic, optical and magnetic properties of LiFePO4 Cathode materials for Lithium-Ion batteries
A. K. Wabeto, K. N. Nigussa, L. D. Deja
In this study, we have employed a DFT+U calculation using quantum-espresso (QE) code to investigate the structural, electronic, optical, and magnetic properties of LiFePO…
Temperature dependence study of water dynamics in Fluorohectorite clays using Molecular dynamics simulations
H. O. Mohammed, K. N. Nigussa
In this work, we have carried out molecular dynamics (MD) simulation techniques to study the diffusion coefficient of interlayer molecules at different temperature. Within the wide…
The amplitudons of dynamical stable binary cubic crystals for hot-electron cooling in BaTe, CdTe, SrTe and SnTe for enhanced photo voltaic effect
Tewodros Eyob Ada, Kenate Nemera Nigussa, Lemi Demeyu Deja +1
Dynamical properties of materials determined using force constant expansions in the HIPHIVE package and density functional theory as implemented in the Gpaw code. Thermal conductiv…
Molecular dynamics simulation of ion dynamics within SPEEK polymer electrolyte of PEM Fuel Cells
S. S. Awulachew, K. N. Nigussa
Proton transport property is studied by modelling the intermolecular pair correlation functions of the proton ion with the electrode and the electrolyte of a polymer electrolyte fu…
Electronic and Optical properties of TM-doped (8,0) SiC SWNT and the prospect of hydrogen storage
A. T. Mulatu, K. N. Nigussa, L. D. Deja
Properties of transition metal (TM) doped single wall (8,0) SiC nanotube is investigated using first principles density functional theory as implemented within quantum espresso cod…
First principles and Monte Carlo studies of adsorption and desorption properties from PdAg surface alloy
S. S. Awulachew, K. N. Nigussa
The FCC structure of PdAg ( 0.25, 0.50, 0.75) alloys is considered as a fuel cell component in this study. We have looked into its qualities as a compo…