11 citations · 13 across the 6 of their papers we have counts for
6 papers
Unraveling the effects of anionic vacancies and temperature on mechanical properties of NbC and NbN: Insights from Quantum Mechanical Study
P. W. Muchiri, K. K. Korir, N. W. Makau +2
Transition metal carbides and nitrides (TMCNs), such as niobium carbide (NbC) and niobium nitride (NbN), are of great technological interest due to their exceptional hardness, high…
Thermoelastic Properties Of The Ti2AlC MAX Phase: An Ab Initio Study
Bill Clintone Oyomo, Leah Wairimu Mungai, Geoffrey Arusei +4
MAX phases are used on an industrial scale in the transportation, armour, and furnace development sectors, among others. However, data on the dynamical properties of these material…
The Impact of Anionic Vacancies on the Mechanical Properties of NbC and NbN: An ab initio Study
P. W. Muchiri, K. K. Korir, N. W. Makau +1
The development of super-hard materials has recently focused on systems containing a heavy transition metal and light main group elements. Niobium carbides and nitrides have previo…
Two-Dimensional graphene-HfS van der Waals heterostructure as electrode material for Alkali-ion batteries
Gladys King'ori, Cecil N M Ouma, Abshiek Mishra +2
Poor electrical conductivity and large volume expansion during repeated charge and discharge is what has characterized many battery electrode materials in current use. This has led…
Adhesion of the electrodes on diamond device surfaces
Tom Ichibha, Kenta Hongo, Isaac Motochi +3
Appropriate candidates of the metallic sheet used for the electrodes of diamond semiconductor are investigated using computational approaches based on density functional theory (DF…
Partial Density of States Ligand Field Theory (PDOS-LFT): Recovering a LFT-Like Picture and Application to Photoproperties of Ruthenium(II) Polypyridine Complexes
Denis Magero, Mark E. Casida, George Amolo +2
Gas phase density-functional theory (DFT) and time-dependent DFT (TD-DFT) calculations are reported for a data base of 98 ruthenium(II) polypyridine complexes. Comparison with X-ra…