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M

M.V. Lalić

Universidad

18H-index
85Paper Count
1.8KCitation Count
Published Papers 41
Publication Date
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Unveiling the mechanism of Jahn-Teller distortion and magnetic suppression in LiNiO2 during delithiation: Insights from electron redistribution
errJournal of Physics and Chemistry of Solids
IF4.9
err2026-01-20
err0
PREAI
errO.M. Sousa; D. Nafday; F.O. Carvalho; L.V.C. Assali; M.V. Lalic; A. Delin; C.M. Araujo; O. Eriksson; H.M. Petrilli; A.B. Klautau
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Magnetic, electronic, optical, and photocatalytic properties of the sillenite Bi12FeO20 compound
errComputational Condensed Matter
IF3.9
err2026-01-02
err0
PREAI
errF.J.A. Santos; A.F. Lima; M.V. Lalic
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Structural, electronic, and optical properties of polymorphic phases of the LiBaPO4 compound
errSOLID STATE COMMUNICATIONS
IF2.4
err2025-10-01
err0
PREAI
errPiropo, Gilvan J.; Silva, Carlos H. P.; Rezende, Marcos V. dos S.; Lima, Adilmo F.; V. Lalic, Milan
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Structural and electronic properties of APO4 (A = Sc; Lu; Y) orthophosphates under high pressure: a first-principles study
errPhysica Scripta
IF2.6
err2025-09-11
err0
PREAI
errG J Piropo; O M Sousa; F O Carvalho; A F Lima; M V Lalic
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First-principles study of the electronic, optical, and photovoltaic properties of ferroelectric NaBiSe2
errComputational Materials Science
IF3.3
err2025-08-27
err0
PREAI
errL.P.A. Maia; A.F. Lima; M.V. Lalic
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Accelerating Cathode Design for Zinc-Ion Batteries Using Data-Driven Screening and Ab Initio Calculations
errJ. Mater. Chem. A
IF9.5
err2025-07-25
err0
PREAI
errFelipe Oliveira de Carvalho; Osmar Sousa; Lucy Vitória Credidio Assali; Milan Lalic; C. Moyses G. Araujo; Olle Eriksson; Helena Maria Petrilli; Angela Burlamaqui Klautau
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Rapid screening strategy for aluminum-ion battery cathode materials using data-driven filtering and Ab initio calculations
errJournal of Physics and Chemistry of Solids
IF4.9
err2025-06-16
err0
PREAI
errL.C. Maciel; O.M. Sousa; F.O. Carvalho; L.V.C. Assali; M.V. Lalic; C.M. Araujo; O. Eriksson; H.M. Petrilli; A.B. Klautau
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Ab initio investigation of ZnV2O4, ZnV2S4, and ZnV2Se4 as cathode materials for aqueous zinc-ion batteries
errACTA MATERIALIA
IF9.3
err2025-01-01
err0
PREAI
errSousa, O. M.; Sorgenfrei, F.; Carvalho, F. O.; Assali, L. V. C.; Lalic, M. V.; Thunstrom, P.; Araujo, C. Moyses; Eriksson, O.; Petrilli, H. M.; Klautau, A. B.
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Effects of oxygen vacancies on the structural, electronic, and optical properties of the photocatalytic InTaO4 compound
errOPTICAL MATERIALS
IF4.2
err2024-06-01
err1
PREAI
errAlves, L. L.; Piropo, G. J.; Souza, J. S.; Lima, A. F.; Lalic, M. V.
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Charging behavior of ZnMn2O4 and LiMn2O4 in a zinc- and lithium-ion battery: an ab initio study
errJOURNAL OF PHYSICS-ENERGY
IF6.3
err2024-04-25
err2
errOAAI
errSousa, O. M.; Assali, L. V. C.; Lalic, M., V; Araujo, C. M.; Eriksson, O.; Petrilli, H. M.; Klautau, A. B.
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Electronic, optical, and photovoltaic properties of the NaBiS2 compound with orthorhombic structure: A highly perspective photoferroic material
errOPTICAL MATERIALS
IF4.2
err2024-02-01
err1
PREAI
errMaia, L. P. A.; Souza, J. S.; Lima, A. F.; Lalic, M. V.
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Structural, electronic and optical properties of the YVO4:Eu3+red phosphor
errOPTICAL MATERIALS
IF4.2
err2023-09-01
err4
PREAI
errCarvalho, F. O.; Piropo, G. J.; Lima, A. F.; Lalic, M. V.
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Photoferroic prospective of multiferroic HoMnO3 compound, evaluated on the base of the DFT study of its magnetic, electronic, and optical properties
errJOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
IF4.9
err2023-06-01
err2
PREAI
errBrito, D. M. S.; Lima, A. F.; Lalic, M. V.
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Pressure effect on the structural, electronic, and magnetic properties of the battery cathode material LiMn2O4: An ab-initio study
errJOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
IF4.9
err2023-04-01
err3
errOAAI
errSousa, O. M.; Sorgenfrei, F.; Assali, L. V. C.; Lalic, M. V.; Klautau, A. B.; Thunstrom, P.; Araujo, C. M.; Eriksson, O.; Petrilli, H. M.
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Electronic and optical properties of multifunctional R3c AFeO3 (A = Sc or In) compounds: Insights into their potential for photovoltaic applications
errJOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
IF4.9
err2022-01-01
err4
PREAI
errSouza, J. S.; Alves, L. L.; Lima, A. F.; Lalic, M., V
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Electronic, optical, and photocatalytic properties of the wolframite InNbO4 and InTaO4 compounds
errOPTICAL MATERIALS
IF4.2
err2022-01-01
err8
PREAI
errAlves, L. L.; Souza, J. S.; Lima, A. F.; Lalic, M., V
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Structural, electronic and optical characterization of substitutional Ag defect in Li2B4O7 scintillator
errJOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
IF4.9
err2020-11-01
err4
PREAI
errSantos, C.; Lima, A. F.; Lalic, M., V
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Non-collinear spin DFT study of the ground state magnetic structure, optical and electronic properties of the hexagonal LuFeO3 multiferroic
errJOURNAL OF ALLOYS AND COMPOUNDS
IF6.3
err2020-01-01
err7
PREAI
errMelo, A. T.; Brito, D. M. S.; Lima, A. F.; Lalic, M., V
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Theoretical study of electronic and optical properties of the scheelite MWO4 (M = Ca, Sr or Ba) compounds by applying the modified Becke-Johnson exchange-correlation potential
errOPTICAL MATERIALS
IF4.2
err2019-06-01
err21
PREAI
errCarvalho, I. P.; Lima, A. F.; Lalic, M., V
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First-principles study of structural, electronic, energetic and optical properties of substitutional Cu defect in Li2B4O7 scintillator
errJOURNAL OF ALLOYS AND COMPOUNDS
IF6.3
err2018-02-01
err7
PREAI
errSantos, C.; Lima, A. F.; Lalic, M. V.
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Research Directions

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Co-authors
Cooperation Journals
D
D. N. Baker
H-index: 117 · Papers: 1.3K
O
Olle Eriksson
H-index: 101 · Papers: 1.3K
G
G. D. Reeves
H-index: 97 · Papers: 1.1K
H
H. E. Spence
H-index: 85 · Papers: 1.0K
J
J. B. Blake
H-index: 85 · Papers: 918
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