First-principle calculations of the bulk properties of 4d transition metal carbides and nitrides in the rocksalt, zincblende and wurtzite structures KK Korir, GO Amolo, NW Makau, DP Joubert
Diamond and related materials 20 (2), 157-164, 2011
77 2011 Controlling the magnetic and optical responses of a MoS 2 monolayer by lanthanide substitutional doping: a first-principles study CNM Ouma, S Singh, KO Obodo, GO Amolo, AH Romero
Physical Chemistry Chemical Physics 19 (37), 25555-25563, 2017
58 2017 Two-dimensional graphene–HfS 2 van der Waals heterostructure as electrode material for alkali-ion batteries GW King'ori, CNM Ouma, AK Mishra, GO Amolo, NW Makau
RSC advances 10 (50), 30127-30138, 2020
29 2020 Ab initio insights on the effect of embedding lanthanide atoms on nitrogenated holey doped graphene (gC 2 N) CNM Ouma, KO Obodo, M Braun, GO Amolo
Journal of Materials Chemistry C 6 (15), 4015-4022, 2018
27 2018 Hardness characterization parameters of Niobium Carbide and Niobium Nitride: A first principles study PW Muchiri, VM Mwalukuku, KK Korir, GO Amolo, NW Makau
Materials Chemistry and Physics 229, 489-494, 2019
26 2019 Insights on hydrogen evolution reaction in transition metal doped monolayer TcS2 from density functional theory calculations CNM Ouma, KO Obodo, M Braun, GO Amolo, D Bessarabov
Applied Surface Science 470, 107-113, 2019
24 2019 Origin of band inversion in topological Bi2Se3 S Chege, P Ning’i, J Sifuna, GO Amolo
AIP Advances 10 (9), 2020
21 2020 First-principles study of two-dimensional electron and hole gases at the head-to-head and tail-to-tail domain walls in ferroelectric thin films J Sifuna, P García-Fernández, GS Manyali, G Amolo, J Junquera
Physical Review B 101 (17), 174114, 2020
21 2020 First-principles calculations of the elastic constants of the cubic, orthorhombic and hexagonal phases of BaF2 PWO Nyawere, NW Makau, GO Amolo
Physica B: Condensed Matter 434, 122-128, 2014
19 2014 Ab initio insights into Graphene-Zirconium disulfide/diselenide heterostructure as electrode material for alkali-ion batteries GW King'ori, CNM Ouma, GO Amolo, NW Makau
Surfaces and Interfaces 24, 101036, 2021
17 2021 Adhesion of electrodes on diamond (111) surface: A DFT study T Ichibha, K Hongo, I Motochi, NW Makau, GO Amolo, R Maezono
Diamond and Related Materials 81, 168-175, 2018
17 2018 Quantum Monte Carlo study of pressure-induced phase transition in GaAs CNM Ouma, MZ Mapelu, NW Makau, GO Amolo, R Maezono
Physical Review B 86 (10), 104115, 2012
16 2012 Visible and VUV optical absorption studies of Mg-colloids and colour centres in MgF2 crystals implanted by 100 keV Mg-ions GO Amolo, JD Comins, AT Davidson, AG Kozakiewicz, TE Derry, ...
Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2004
16 2004 Ab Initio Simulations of Copper Oxide Nanowires and Clusters on TiO2 (101) Anatase Surface V Meng’wa, N Makau, G Amolo, S Scandolo, N Seriani
The Journal of Physical Chemistry C 121 (37), 20359-20365, 2017
14 2017 First principles calculations of the thermoelectric properties of α -MnO2 and β -MnO2 M Chepkoech, DP Joubert, GO Amolo
The European Physical Journal B 91, 1-11, 2018
13 2018 Metal–semiconductor ohmic contacts: An ab initio Density Functional Theory study of the structural and electronic properties of metal–diamond (111)-(1× 1) interfaces I Motochi, NW Makau, GO Amolo
Diamond and related materials 23, 10-17, 2012
12 2012 Effects of Ag+ and Au3+ ion implantation of lithium niobate GO Amolo, JD Comins, SR Naidoo, SH Connell, MJ Witcomb, TE Derry
Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2006
9 2006 A density functional theory study of the thermoelectric properties of K3AuO M Chepkoech, DP Joubert, GO Amolo
Computational Condensed Matter 24, e00484, 2020
8 2020 The growth of high-performance computing in Africa GO Amolo
Computing in Science & Engineering 20 (3), 21-24, 2018
8 2018 Effect of 3d transition metal substitutional dopants and adatoms on mono layer TcS2 ab initio insights CNM Ouma, KO Obodo, C Parlak, GO Amolo
Physica E: Low-dimensional Systems and Nanostructures 123, 114165, 2020
7 2020