Ab initio pseudopotential study of vacancies and self-interstitials in hcp titanium A Tunde Raji, S Scandolo, R Mazzarello, S Nsengiyumva, M Härting, ...
Philosophical Magazine 89 (20), 1629-1645, 2009
63 2009 Stability, magnetic and electronic properties of cobalt-vacancy defect pairs in graphene: a First principles Study AT Raji, EB Lombardi
Physica B 28, 464, 2015
22 2015 Effects of copper ion irradiation on supercapacitive electrodes RM Obodo, TC Chibueze, I Ahmad, CE Ekuma, AT Raji, M Maaza, ...
Journal of Applied Electrochemistry 51, 829-845, 2021
19 2021 Energetics, electronic and magnetic properties of monolayer WSe2 doped with pictogens, halogens and transition-metal (4d, 5d ) atoms: A comprehensive ab-initio study LB Mabelet, BR Malonda-Boungou, HBM Poaty, AT Raji
Physica E: Low-dimensional Systems and Nanostructures 124, 114161, 2020
16 2020 Evaluation of the 137Cs activity-depth profiles by the diffusion-convection model IR Ajayi, AT Raji
Int. Jour. of the Phys. Sci 5 (2), 154, 2010
16 2010 X-ray Absorption Near-Edge Structure (XANES) at the O K -Edge of Bulk Co3 O4 : Experimental and Theoretical Studies S Kenmoe, DH Douma, AT Raji, B M’Passi-Mabiala, T Götsch, F Girgsdies, ...
Nanomaterials 12 (6), 921, 2022
14 2022 Microstructural and magneto-optical properties of Co1-xNix Fe2O4 nanocomposites for hyperthermia applications SO Aisida, TC Chibueze, MH Alnasir, OE Oyewande, AT Raji, CE Ekuma, ...
Solid State Sciences 136, 107107, 2023
13 2023 Intrinsic point defects in half-Heusler AuMnS T Chibueze, A Raji, CMI Okoye
J. Phys. Chem. Solids 139, 109328, 2020
13 2020 Intrinsic defects and krypton impurity atoms in hcp titanium: A first-principles study AT Raji, R Mazzarello, S Scandolo, S Nsengiyumva, M Härting, DT Britton
Physical Review B 83, 054120, 2011
11 2011 First principles study of the effects of doping with sp elements (As, Sb, Bi) and pressure on the properties of half-Heusler AuMnSn TC Chibueze, AT Raji, CMI Okoye
Chemical Physics 530, 110635, 2020
10 2020 Probing the Structure of Iron at Extreme Conditions by X-ray Absorption Near- Edge Structure Calculations AT Raji, S Scandolo, M Härting, DT Britton
High Pressure Research 33 (1), 119, 2013
10 2013 Near surface stress determination in Kr-implanted polycrystalline titanium by the X-ray Sin2Ψ-method M Härting, S Nsengiyumva, AT Raji, G Dollinger, P Sperr, SR Naidoo, ...
Surf. Coat. Tech 201, 8237, 2007
10 2007 Tetragonal and uniaxial strains in pristine and doped half-Heusler AuMnSn alloy TC Chibueze, CE Ekuma, AT Raji, FI Ezema, CMI Okoye
Journal of Alloys and Compounds 848, 156186, 2020
9 2020 Isocyanic acid (HNCO) adsorption on the flat and defective Rh(001) surfaces: Pure DFT and DFT+vdW calculations C Malonga, BR Malonda-Boungou, M N'dollo, P Moussounda, ...
Journal of Physics and Chemistry of Solids 138, 109162, 2019
9 2019 Isocyanic acid (HNCO) adsorption on the flat and defective Rh(001) surfaces: Pure DFT and DFT+vdW calculations C Malonga, BR Malonda-Boungou, M N'dollo, P Moussounda, ...
Journal of Physics and Chemistry of Solids 138, 109162, 2019
9 2019 Theoretical X-ray absorption near-edge structure signatures of solid and liquid Phases of iron at extreme conditions AT Raji, S Scandolo
High Pressure Research 34 (2), 250, 2014
9 2014 Isocyanic acid (HNCO) dissociation on Rh (001) surface: A DFT study with and without dispersion correction CLM Matanou, BR Malonda-Boungou, M N’dollo, PS Moussounda, ...
Surface Science 709, 121744, 2021
8 2021 Ferromagnetic half-metallicity in half-Heusler AuMnSn:Te Alloy T Chibueze, C Ekuma, A Raji, D Rai, CMI Okoye
Mater. Res. Express 7 (7), 076519, 2020
8 2020 Structural, magnetic and electronic properties of copper-phthalocyanine adsorbed on graphene : Ab initio studies JF Matoko-Ngouma, BR Malonda-Boungou, AT Raji, PS Moussounda, ...
Journal of Molecular structure 1211, 128034, 2020
8 2020 Ab initio study of Kr in hcp Ti: diffusion, formation, and stability of small Kr- vacancy clusters AT Raji, S Scandolo, R Mazzarello, S Nsengiyumva, M Härting, DT Britton
Nucl. Instrum. and Meth B. 267, 2991, 2009
8 2009