Banca de DEFESA: DAVI BEZERRA BASTOS
Uma banca de DEFESA de MESTRADO foi cadastrada pelo programa.DISCENTE: DAVI BEZERRA BASTOS
DATA: 26/02/2024
HORA: 10:00
LOCAL: Presencial - Auditório do Departamento de Fisica/UFPI
TÍTULO: Propriedades eletrônicas de nanoestruturas em duas dimensões baseadas em unidades básicas do tipo moléculas de truxeno
PALAVRAS-CHAVES: nanocarbonos; estrutura eletrônica; truxeno; DFT
PÁGINAS: 38
GRANDE ÁREA: Ciências Exatas e da Terra
ÁREA: Física
RESUMO:
Nanostructures have become the focus of intense research due to
their unique electronic properties and a growing demand for the miniaturization
of electronic devices. In this sense, computational simulations play a
fundamental role in investigating the physical properties of different
nanostructures. In this work, using the truxene molecule as the basic building
block, two systems in two dimensions (2D) were hypothesized and their
electronic properties were investigated through computational calculations
based on the Density Functional Theory (DFT) implemented in the SIESTA
code. Firstly, we review the electronic structure of the molecule with the aim of
understanding the electronic behavior of the corresponding periodic systems.
The two proposed systems have as their ground state a corrugated atomic
configuration with a thickness of approximately 2.80 Å. About electronic
properties, the two nanocarbons have semiconducting behavior with the frontier
states showing characteristics similar to the frontier orbitals of the truxene
molecule. The semiconductor behavior of the systems can be explored in the
future in the area of electronics, and the fact that such systems are conceptually
obtained from already synthesized molecules, it can promote future theoretical
and experimental studies on nanocarbons based on such molecules.
MEMBROS DA BANCA:
Interno - 1548848 - EDUARDO COSTA GIRAO
Externo ao Programa - 1689475 - JONATHAN DA ROCHA MARTINS
Externo à Instituição - MARCELO LOPES PEREIRA JÚNIOR - UnB
Presidente - 1250015 - PALOMA VIEIRA DA SILVA