| 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 | 57 | 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 | 20 | 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 | 13 | 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 |
| 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 |
| Theoretical investigation of the thermoelectric properties of ACuO2(A = K, Rb and Cs) M Chepkoech, DP Joubert, GO Amolo The European Physical Journal B 93, 1-12, 2020 | 7 | 2020 |
