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A. B. Klautau

Federal University of Para

BELEM, Pará

Brazil

  • Federal University of Para

SCHOLARLY PAPERS

4

DOWNLOADS

297

TOTAL CITATIONS

0

Scholarly Papers (4)

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1.

Ab Initio Investigation of ZnV2O4, ZnV2S4, and ZnV2Se4 as Cathode Materials for Aqueous Zinc-Ion Batteries

Number of pages: 23 Posted: 15 Aug 2024
O. M. Sousa, F. Sorgenfrei, F. O. Carvalho, L. V. C. Assali, M. V. Lalic, Patrik Thunström, C. Moyses Araujo, Olle Eriksson, H. M. Petrilli and A. B. Klautau
Federal University of Para, Uppsala University, Universidade Federal de Sergipe, University of São Paulo (USP), Universidade Federal de Sergipe, Uppsala University - Department of Physics and Astronomy, Karlstad University, Uppsala University - Department of Physics and Astronomy, University of São Paulo (USP) and Federal University of Para
Downloads 193 (393,598)

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Cathode materials, ZnV2O4, ZnV2S4, ZnV2Se4, density functional theory, zinc-ion batteries

2.

Rapid Screening Strategy for Aluminum-Ion Battery Cathode Materials Using Data-Driven Filtering and Ab Initio Calculations

Number of pages: 14 Posted: 15 May 2025
L. C. Maciel, O. M. Sousa, F. O. Carvalho, L. V. C. Assali, M. V. Lalic, C. Moyses Araujo, Olle Eriksson, H. M. Petrilli and A. B. Klautau
Federal University of Para, Federal University of Para, Universidade Federal de Sergipe, University of São Paulo (USP), Universidade Federal de Sergipe, Karlstad University, Uppsala University - Department of Physics and Astronomy, University of São Paulo (USP) and Federal University of Para
Downloads 49 (1,086,013)

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Aluminum-Ion Battery, cathodes, materials project, data filters, Density Functional Theory

3.

Unveiling the Mechanism of Jahn-Teller Distortion and Magnetic Suppression in LiNiO2 during Delithiation: Insights from Electron Redistribution

Number of pages: 17 Posted: 17 Sep 2025
O. M. Sousa, D. Nafday, F. O. Carvalho, L. V. C. Assali, M. V. Lalic, A. Delin, C. Moyses Araujo, Olle Eriksson, H. M. Petrilli and A. B. Klautau
Federal University of Para, affiliation not provided to SSRN, Universidade Federal de Sergipe, University of São Paulo (USP), Universidade Federal de Sergipe, affiliation not provided to SSRN, Karlstad University, Uppsala University - Department of Physics and Astronomy, University of São Paulo (USP) and Federal University of Para
Downloads 35 (1,263,436)

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Redox process, LiNiO2, electronic structure, electronic charge redistribution, density functional theory

4.

Pressure Effect on the Structural, Electronic, and Magnetic Properties of the Battery Cathode Material Limn2o4: An Ab-Initio Study

Number of pages: 18 Posted: 09 Dec 2022
O. M. Sousa, F. Sorgenfrei, L. V. C. Assali, M. V. Lalic, A. B. Klautau, Patrik Thunström, C. M. Araujo, Olle Eriksson and H. M. Petrilli
Federal University of Para, Uppsala University, University of São Paulo (USP), Universidade Federal de Sergipe, Federal University of Para, Uppsala University - Department of Physics and Astronomy, Karlstad University, Uppsala University - Department of Physics and Astronomy and University of São Paulo (USP)
Downloads 20 (1,448,301)

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Cathode materials, LiMn2O4 under pressure, electronic structure.