Ab initio investigation of ZnV2O4, ZnV2S4, and ZnV2Se4 as cathode materials for aqueous zinc-ion batteries von Sousa, O.M., Sorgenfrei, F., Carvalho, F.O., Assali, L.V.C., Lalic, M.V., Thunström, P., Araujo, C․Moyses, Eriksson, O., Petrilli, H.M., Klautau, A.B.

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Pressure effect on the structural, electronic, and magnetic properties of the battery cathode material LiMn2O4: An ab-initio study von Sousa, O.M., Sorgenfrei, F., Assali, L.V.C., Lalic, M.V., Klautau, A.B., Thunström, P., Araujo, C.M., Eriksson, O., Petrilli, H.M.

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An ab initio investigation on nickel impurities in diamond von Larico, R, Justo, J.F, Machado, W.V.M, Assali, L.V.C

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Structural and electronic properties of Ti impurities in SiC: an ab initio investigation von Barbosa, K.O., Assali, L.V.C., Machado, W.V.M., Justo, J.F.

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Transition metal atoms encapsulated in adamantane molecules von Garcia, J.C., Machado, W.V.M., Assali, L.V.C., Justo, J.F.

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Rare-earth impurities in gallium nitride: The role of the Hubbard potential von Caroena, G., Justo, J.F., Machado, W.V.M., Assali, L.V.C.

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Boron and nitrogen functionalized diamondoids: A first principles investigation von Garcia, J.C., Justo, J.F., Machado, W.V.M., Assali, L.V.C.

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Trends on 3d transition metal impurities in diamond von Assali, L.V.C., Machado, W.V.M., Justo, J.F.

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Cobalt in diamond: An ab initio investigation von Assali, L.V.C., Machado, W.V.M., Larico, R., Justo, J.F.

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Electronic and magnetic properties of Mn and Fe impurities in III-nitride semiconductors von Justo, J.F., Machado, W.V.M., Assali, L.V.C.

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Behavior of 3d-transition metals in different SiC polytypes von Justo, J.F., Machado, W.V.M., Assali, L.V.C.

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Defects in mercuric iodide: an APW investigation von Ayres, F., Machado, W.V.M., Justo, J.F., Assali, L.V.C.

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Band gap states of interstitial nickel-complexes in diamond von Larico, R., Justo, J.F., Machado, W.V.M., Assali, L.V.C.

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A first principles investigation on hypothetical crystalline phases of silicon oxycarbide von da Silva, C.R.S., Justo, J.F., Pereyra, I., Assali, L.V.C.

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A theoretical model for the nickel-related defect centers in diamond von Larico, R., Machado, W.V.M., Assali, L.V.C., Justo, J.F.

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Transition metal impurities in 3C-SiC and 2H-SiC von Assali, L.V.C, Machado, W.V.M, Justo, J.F

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First-principles studies of Ti impurities in SiC von Barbosa, K.O., Machado, W.V.M., Assali, L.V.C.

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Electronic structure of light emitting centers in Er doped Si von Assali, L.V.C., Gan, F., Kimerling, L.C., Justo, J.F.

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Nickel impurities in diamond: a FP-LAPW investigation von Larico, R., Assali, L.V.C., Machado, W.V.M., Justo, J.F.

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Microscopic models of Hg+, Auo and Pt- isoelectronic interstitial impurities in silicon von Alves, J.L.A., Leite, J.R., Gomes, V.M.S., Assali, L.V.C.

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