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 | 72 | 2010 |
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 | 70 | 2020 |
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 |
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 | 54 | 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 |
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 |
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 | 34 | 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 | 33 | 2019 |
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 | 32 | 2020 |
Half-Metallic Ferromagnetism in Double Perovskite Ca2CoMoO6 Compound: DFT Calculations A Djefal, S Amari, KO Obodo, L Beldi, H Bendaoud, RFL Evans, ... Spin 7 (04), 1750009, 2017 | 30 | 2017 |
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 |
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 | 25 | 2018 |
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 |
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 | 24 | 2019 |
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 | 23 | 2021 |
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 | 22 | 2011 |
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 | 21 | 2022 |
Ferromagnetism in RaBi with Zinc-Blende and Wurtzite Structures: Ab-initio Prediction H Benaissa, S Benatmane, S Amari, KO Obodo, L Beldi, H Bendaoud, ... Spin 8 (02), 1850008, 2018 | 19 | 2018 |
Low-temperature water electrolysis KO Obodo, CNM Ouma, D Bessarabov Power to Fuel, 17-50, 2021 | 18 | 2021 |
First-principles study of the electronic structure, magnetism, and phonon dispersions for CaX (X= C, N) compounds L Beldi, H Bendaoud, KO Obodo, B Bouhafs, S Méçabih, B Abbar Computational Condensed Matter 17, e00336, 2018 | 18 | 2018 |