Prof. Dr. Luis Henrique da Silveira Lacerda
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ÁREA DE CONCENTRAÇÃO FÍSICO-QUÍMICA
Linhas de Pesquisa:
- Química Quântica e computacional
- Química de materiais
- Fotoquímica
- Catálise
PUBLICAÇÕES SELECIONADAS
- LACERDA, LUIS HENRIQUE DA SILVEIRA; SAN-MIGUEL, MIGUEL ANGEL. DFT approaches unraveling the surface and morphological properties of MnMoO4. Applied Surface Science, v. 567, p. 150882, 2021. (https://doi.org/10.1016/j.apsusc.2021.150882)
- LACERDA, L.H.S.; DE LAZARO, S.R. Surface and morphology investigation of FeCrO3 material in ilmenite-, corundum- and lithium niobate-polymorphs. Surfaces and Interfaces, v. 22, p. 100837, 2021. (https://doi.org/10.1016/j.surfin.2020.100837)
- MARSZAUKOWSKI, F.; GUIMARÃES, I.D.L.; DA SILVA, J.P.; LACERDA, L.H.S.; DE LAZARO, S.R.; DE ARAUJO, M.P.; CASTELLEN, P.; TOMINAGA, T.; BOERÉ, R.T.; WOHNRATH, K. Ruthenium(II)-arene complexes with monodentate aminopyridine ligands: Insights into redox stability and electronic structures and biological activity. Journal of Organometallic Chemistry, v. 881, p. 66-78, 2019. (https://doi.org/10.1016/j.jorganchem.2018.11.036)
- LACERDA, L.H.S.; RIBEIRO, R.A.P.; LÁZARO, S.R. Magnetic, Electronic, Ferroelectric, Structural and Topological Analysis of AlFeO3, FeAlO3, FeVO3, BiFeO3 and PbFeO3 materials: theoretical evidences of magnetoelectric coupling. Journal of Magnetism and Magnetic Materials, v. 480, p. 199-208, 2019. (https://doi.org/10.1016/j.jmmm.2019.02.042)
- LACERDA, L.H.S.; LONGO, E; ANDRÉS, J.; SAN-MIGUEL, M.A. A diagnosis approach for semiconductor properties evaluation from ab initio calculations: Ag-based materials investigation. Journal of Solid State Chemistry, v. 305, p. 122670, 2022. (https://doi.org/10.1016/j.jssc.2021.122670)
- LACERDA, L.H.S.; DE LAZARO, S.R. Isomorphic substitution and intermediary energy levels: A new application of DFT modelling and semiconductor theory to describe p-n type junctions interface in heterostructures. Physica Status Solidi B: Basic Solid State Physics, v. 254, p. 1700119, 2017. (https://doi.org/10.1002/pssb.201700119)
- LACERDA, L.H.S.; DE LAZARO, S.R. DFT simulations to clarify the molecular origin of magnetoelectric coupling in R3c materials based on Fe. New Journal of Chemistry, v. 43, p. 10610-10617, 2019. (https://doi.org/10.1039/C9NJ02761K)
