Ferromagnetic half-metallicity in half-Heusler AuMnSn:Te Alloy von Chibueze, T C, Ekuma, C E, Raji, A T, Rai, D P, Okoye, C M I

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Vanadium embedded in monolayer silicene: Energetics and proximity-induced magnetism von Raji, A. T., Maboe, D. P. A., Benecha, E. M., Dongho-Nguimdo, M., Igumbor, E., Lombardi, E. B.

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Copper-phthalocyanine (CuPc) and O, Li and Mn adatoms on graphene substrate: First-principles study of stability, magnetism and electronic properties von Matoko-Ngouma, J.F., Malonda-Boungou, B.R., Raji, A.T., Mabiala-Poaty, H.B., Moussounda, P.S., M’Passi-Mabiala, B.

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Isocyanic acid (HNCO) dissociation on Rh(001) surface: A DFT study with and without dispersion correction von Matanou, C.L. Malonga, Malonda-Boungou, B.R., N’dollo, M., Moussounda, P.S., Raji, A.T., M’Passi-Mabiala, B.

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Tetragonal and uniaxial strains in pristine and doped half-Heusler AuMnSn alloy von Chibueze, T.C., Ekuma, C.E., Raji, A.T., Ezema, F.I., Okoye, C.M.I.

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Stress enhanced diffusion of krypton ions in polycrystalline titanium von Nsengiyumva, S., Raji, A. T., Rivière, J. P., Britton, D. T., Härting, M.

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Copper-selective PVC membrane electrodes based on salens as carriers von Fakhari, Ali Reza, Raji, Termeh Ahmad, Naeimi, Hossein

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Ab initio study of Kr in hcp Ti: Diffusion, formation and stability of small Kr–vacancy clusters von Raji, A.T., Scandolo, S., Mazzarello, R., Nsengiyumva, S., Härting, M., Britton, D.T.

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Ni thin-films on Pd surfaces and effects of oxygen adsorption: Ab-initio study of structures, electronic properties, magnetic anisotropy von Mahoungou-Nguimbi, F.B., Mouketo, L., Malonda-Boungou, B.R., Raji, A.T., M’Passi-Mabiala, B.

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Adsorption of dihalogen molecules X2 (X = F, Cl, Br and I) on the Fe/W(110) substrate von Okana-Lomanga, A.L., Ngantso, G. Dimitri, Malonda-Boungou, B.R., Raji, A.T., M'Passi-Mabiala, B.

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Oxygen adsorption on pristine MnBi and Ta-capped MnBi thin-films: Ab-initio study of structural and electronic properties, and magnetic anisotropy von Moukila Mberi Ndombo, U.F., Malonda-Boungou, B.R., Mabiala-Poaty, H.B., Raji, A.T., Moussounda, P.S.

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Intrinsic point defects in half-Heusler AuMnSn von Chibueze, T.C., Raji, A.T., Okoye, C.M.I.

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First principles study of the effects of doping with sp elements (As, Sb, Bi) and pressure on the properties of half-Heusler AuMnSn von Chibueze, T.C., Raji, A.T., Okoye, C.M.I.

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The mutual influence of krypton implantation and pre-existing stress states in polycrystalline alpha titanium von Nsengiyumva, S., Ntsoane, T.P., Raji, A.T., Topíc, M., Kellermann, G., Rivière, J.P., Britton, D.T., Härting, M.

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Adsorption and decomposition of SOx (x = 1, 2, 3) on Au(001) surface: A DFT-based study with van der Waals correction von Gampika, B.R.D., Matanou, C.L. Malonga, Malonda-Boungou, B.R., Raji, A.T., N’dollo, M., Moussounda, P.S.

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Coadsorption of H and Li on perfect and defective Ag(110) and Ag(111) surfaces: A DFT study with and without dispersion correction von Boungou, C.C., Moussounda Mba, G.M., Bouka-Pivoteau, G.B., Malonda-Boungou, B.R., Raji, A.T., Moussounda, P.S.

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Molecular dissociation of nitric oxide (NO) on VO2(010) surface : A DFT study including vdW forces von Boungou, S.E., Malonga Matanou, C.L., Malonda-Boungou, B.R., Raji, A.T., Moussounda, P.S.

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Energetics, electronic and magnetic properties of monolayer WSe2 doped with pnictogens, halogens and transition-metal (4d, 5d) atoms: An ab-initio study von Mabelet, L.B., Malonda-Boungou, B.R., Mabiala-Poaty, H.B., Raji, A.T., M'Passi-Mabiala, B.

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p-n junction from localized doping of metal-WSe2 contact with N2H4, NH4 and BF4 molecules: A first-principles investigation von Mabelet, L.B., Mabiala-Poaty, H.B., Malonda-Boungou, B.R., Raji, A.T., M’Passi-Mabiala, B.

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Conservation of the robust ferromagnetic half-conductivity in 110-surface half-Heusler NaCrAs alloy by strains and defects von Chibueze, T.C., Raji, A.T., Ekuma, C.E.

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