Banca de QUALIFICAÇÃO: SANDERSON HUDSON DA SILVA MALTA

Uma banca de QUALIFICAÇÃO de DOUTORADO foi cadastrada pelo programa.
STUDENT : SANDERSON HUDSON DA SILVA MALTA
DATE: 16/04/2024
LOCAL: Programa de Pós-Graduação em Ciência de Materiais
TITLE:

LUMINESCENT LANTHANIDE SYSTEMS: A THEORETICAL STUDY

KEY WORDS:

Luminescence; Eu3+; Energy transfer.

PAGES: 70
BIG AREA: Outra
AREA: Multidisciplinar
SUMMARY:

Rare earth elements, especially the trivalent ions europium (Eu3+) and terbium (Tb3+), are of great importance in research in various areas due to their peculiar characteristics, such as the possibility of forming many complexes and their optical and magnetic properties. In this context, this study carries out a theoretical study of the luminescent properties of different systems using the models proposed by Malta et al. for energy transfer, Judd-Ofelt theory, semi-empirical methods and the INDO/S-CIS method to explain phenomena not observed experimentally. The models and theories used in this work are implemented in the LUMPAC computational package to deal with the spectroscopic properties of these systems. Initially, the applications of semiempirical methods for geometry optimization were evaluated and then the spectroscopic properties were calculated. In the LOF of MIL-103 with Eu3+ ions, a theoretical study of this system was carried out, where the Sparkle/PM3 model had a better geometry prediction. In MOF-5 doped with 5% Eu3+, the system showed a low quantum yield, but was still an efficient luminescence sensitizer, allowing it to be used in nanothermometry

COMMITTEE MEMBERS:
Presidente - 2457389 - EDUARDO PADRON HERNANDEZ
Externo à Instituição - JANILSON ALVES FERREIRA
Interno - 1134371 - RICARDO LUIZ LONGO