Removal of fluoride ions using a polypyrrole magnetic nanocomposite influenced by a rotating magnetic field UO Aigbe, RB Onyancha, KE Ukhurebor, KO Obodo
Rsc Advances 10 (1), 595-609, 2020
77 2020 Silicene and transition metal based materials: prediction of a two-dimensional piezomagnet NY Dzade, KO Obodo, SK Adjokatse, AC Ashu, E Amankwah, CD Atiso, ...
Journal of Physics: Condensed Matter 22 (37), 375502, 2010
74 2010 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
63 2017 Influence of transition metal doping on the electronic and optical properties of ReS 2 and ReSe 2 monolayers KO Obodo, CNM Ouma, JT Obodo, M Braun
Physical Chemistry Chemical Physics 19 (29), 19050-19057, 2017
59 2017 GGA+ U studies of the early actinide mononitrides and dinitrides KO Obodo, N Chetty
Journal of nuclear materials 442 (1-3), 235-244, 2013
43 2013 Density functional theory calculation of Ti3C2 MXene monolayer as catalytic support for platinum towards the dehydrogenation of methylcyclohexane KO Obodo, CNM Ouma, PM Modisha, D Bessarabov
Applied Surface Science 529, 147186, 2020
39 2020 First principles LDA+ U and GGA+ U study of protactinium and protactinium oxides: dependence on the effective U parameter KO Obodo, N Chetty
Journal of Physics: Condensed Matter 25 (14), 145603, 2013
37 2013 Controlling the electronic and optical properties of HfS 2 mono-layers via lanthanide substitutional doping: a DFT+ U study KO Obodo, G Gebreyesus, CNM Ouma, JT Obodo, SO Ezeonu, DP Rai, ...
RSC advances 10 (27), 15670-15676, 2020
35 2020 First principles study of single and multi-site transition metal dopant ions in MoS2 monolayer KO Obodo, CNM Ouma, JT Obodo, M Braun, D Bessarabov
Computational Condensed Matter 21, e00419, 2019
35 2019 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
31 2018 Half-Metallic Ferromagnetism in Double Perovskite Ca2 CoMoO6 Compound: DFT Calculations A Djefal, S Amari, KO Obodo, L Beldi, H Bendaoud, RFL Evans, ...
Spin 7 (04), 1750009, 2017
31 2017 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
28 2019 First principles evaluation of the OER properties of TM− X (TM= Cr, Mn, Fe, Mo, Ru, W and Os, and X= F and S) doped IrO2 (110) surface KO Obodo, CNM Ouma, D Bessarabov
Electrochimica Acta 403, 139562, 2022
27 2022 Induced ferromagnetism in bilayer hexagonal Boron Nitride (h-BN) on vacancy defects at B and N sites B Chettri, PK Patra, TV Vu, CQ Nguyen, A Yaya, KO Obodo, NTT Tran, ...
Physica E: Low-dimensional Systems and Nanostructures 126, 114436, 2021
27 2021 Influence of Tm, Ho and Er dopants on the properties of Yb activated ZnTiO3 perovskite: A density functional theory insight KO Obodo, LL Noto, SJ Mofokeng, CNM Ouma, M Braun, MS Dhlamini
Materials Research Express 5 (10), 106202, 2018
27 2018 Half-metallic and half-semiconductor gaps in Cr-based chalcogenides: DFT+ U calculations H Moulkhalwa, Y Zaoui, KO Obodo, A Belkadi, L Beldi, B Bouhafs
Journal of Superconductivity and Novel Magnetism 32, 635-649, 2019
25 2019 Thermal Expansion of 3C-SiC Obtained from In-Situ X-ray Diffraction at High Temperature and First-Principal Calculations NM Sultan, TMB Albarody, HKM Al-Jothery, MA Abdullah, HG Mohammed, ...
Materials 15 (18), 6229, 2022
23 2022 Modification of the band offset in boronitrene KO Obodo, RC Andrew, N Chetty
Physical Review B—Condensed Matter and Materials Physics 84 (15), 155308, 2011
23 2011 First principles-based approaches for catalytic activity on the dehydrogenation of liquid organic hydrogen carriers: a review DN Gemechu, AM Mohammed, M Redi, D Bessarabov, YS Mekonnen, ...
International Journal of Hydrogen Energy 48 (85), 33186-33206, 2023
22 2023 Si, P, S and Se surface additives as catalytic activity boosters for dehydrogenation of methylcyclohexane to toluene-A liquid organic hydrogen carrier system: Density … CNM Ouma, KO Obodo, PM Modisha, D Bessarabov
Materials Chemistry and Physics 279, 125728, 2022
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