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Temperature dependence on phase evolution in the BaTiO3 polytypes studied using ab initio calculations
(Wiley, 2019-10) Oliveira, Marisa Carvalho de; Ribeiro, Renan Augusto Pontes; Silva, Elson Longo da; Delmonte, Maurício Roberto Bomio; Motta, Fabiana Villela da; Lazaro, Sérgio Ricardo de
Computational procedure to an accurate DFT simulation to solid state systems
(Elsevier, 2019-12) Gomes, Eduardo O.; Fabris, Guilherme da Silva Lopes; Ferrer, Mateus M.; Motta, Fabiana Villela da; Delmonte, Maurício Roberto Bomio; Andres, Juan; Silva, Elson Longo da; Sambrano, Júlio Ricardo
Quantum mechanical modeling of Zn-based spinel oxides: Assessing the structural, vibrational, and electronic properties
(Wiley, 2020-07-06) Oliveira, Marisa Carvalho de; Ribeiro, Renan Augusto Pontes; Silva, Elson Longo da; Delmonte, Maurício Roberto Bomio; Lazaro, Sérgio Ricardo de
Connecting theory with experiment to understand the photocatalytic activity of CuO–ZnO heterostructure
(Elsevier, 2020-05) Oliveira, Marisa Carvalho de; Fonseca, V. S.; Andrade Neto, Nivaldo Ferreira da; Ribeiro, Renan Augusto Pontes; Silva, Elson Longo da; Lazaro, Sérgio Ricardo de; Motta, Fabiana Villela da; Delmonte, Maurício Roberto Bomio

DEMAT - Departamento de Engenharia de Materiais