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L. V. C. Assali

universidade de sao paulo

20H-index
151Paper Count
1.7KCitation Count
Published Papers 44
Publication Date
Accelerating Cathode Design for Zinc-Ion Batteries Using Data-Driven Screening and Ab Initio Calculations
err2025-07-25
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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
err2025-06-16
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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
err2025-01-01
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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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Probing Ca 3 Ti 2 O 7 crystal structure at the atomic level: Insights from perturbed angular correlation spectroscopy and ab initio studies
err2024-06-03
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PREAI
errRocha-Rodrigues, P.; Miranda, I. P.; Santos, S. S. M.; Oliveira, G. N. P.; Leal, T.; Marcondes, M. L.; Correia, J. G.; Assali, L. V. C.; Petrilli, H. M.; Lopes, A. M. L.; Araujo, J. P.
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Charging behavior of ZnMn2O4 and LiMn2O4 in a zinc- and lithium-ion battery: an ab initio study
err2024-04-25
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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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Pressure-Induced Phase Transformations of Quasi-2D Sr3Hf2O7
err2023-08-01
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errOAAI
errBarbosa, M. C. B.; da Silva, E. Lora; Lekshmi, P. Neenu; Marcondes, M. L.; Assali, L. V. C.; Petrilli, H. M.; Lopes, A. M. L.; Araujo, J. P.
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Pressure effect on the structural, electronic, and magnetic properties of the battery cathode material LiMn2O4: An ab-initio study
err2023-04-01
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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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Group Theory Analysis to Study Phase Transitions of Quasi-2D Sr3Hf2O7
err2021-03-31
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errOAAI
errda Silva, Estelina Lora; Gerami, Adeleh Mokhles; Lekshmi, P. Neenu; Marcondes, Michel L.; Assali, Lucy V. C.; Petrilli, Helena M.; Correia, Joao Guilherme; Lopes, Armandina M. L.; Araujo, Joao P.
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Spontaneous electric polarization and electric field gradient in hybrid improper ferroelectrics: insights and correlations
err2021-01-01
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PREAI
errSantos, Samuel S. M.; Marcondes, Michel L.; Miranda, Ivan P.; Rocha-Rodrigues, Pedro; Assali, Lucy V. C.; Lopes, Armandina M. L.; Petrilli, Helena M.; Araujo, Joao P.
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On the stability of calcium and cadmium based Ruddlesden-Popper and double perovskite structures
err2021-01-01
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PREAI
errMarcondes, Michel L.; Santos, Samuel S. M.; Miranda, Ivan P.; Rocha-Rodrigues, Pedro; Assali, Lucy V. C.; Lopes, Armandina M. L.; Araujo, Joao P.; Petrilli, Helena M.
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Ca2MnO4 structural path: Following the negative thermal expansion at the local scale
err2020-09-28
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errOAAI
errRocha-Rodrigues, Pedro; Santos, Samuel S. M.; Oliveira, Goncalo N. P.; Leal, Tiago; Miranda, Ivan P.; dos Santos, Antonio M.; Correia, Joao G.; Assali, Lucy V. C.; Petrilli, Helena M.; Araujo, Joao P.; Lopes, Armandina M. L.
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Ca3Mn2O7 structural path unraveled by atomic-scale properties: A combined experimental and ab initio study
err2020-02-12
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errOAAI
errRocha-Rodrigues, P.; Santos, S. S. M.; Miranda, I. P.; Oliveira, G. N. P.; Correia, J. G.; Assali, L. V. C.; Petrilli, H. M.; Araujo, J. P.; Lopes, A. M. L.
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Cadmium-based ferroelectrics with the Ruddlesden-Popper and double perovskite structures: a theoretical study
err2020-01-01
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PREAI
errMarcondes, Michel L.; Santos, Samuel S. M.; Miranda, Ivan P.; Rocha-Rodrigues, Pedro; Assali, Lucy V. C.; Lopes, Armandina M. L.; Araujo, Joao P.; Petrilli, Helena M.
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General procedure for the calculation of accurate defect excitation energies from DFT-1/2 band structures: The case of the NV- center in diamond
err2017-08-23
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errOAAI
errLucatto, Bruno; Assali, Lucy V. C.; Pela, Ronaldo Rodrigues; Marques, Marcelo; Teles, Lara K.
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Lanthanide impurities in wide bandgap semiconductors: A possible roadmap for spintronic devices
err2013-02-11
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errOAAI
errCaroena, G.; Machado, W. V. M.; Justo, J. F.; Assali, L. V. C.
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