Banca de QUALIFICAÇÃO: JOÃO GUILHERME COSTA MIRANDA

Uma banca de QUALIFICAÇÃO de MESTRADO foi cadastrada pelo programa.
DISCENTE: JOÃO GUILHERME COSTA MIRANDA
DATA: 27/05/2026
HORA: 14:00
LOCAL: Auditório do Departamento de Física/CCN
TÍTULO: Eletronic Properties of Graphenylene-based Graphynes
PALAVRAS-CHAVES: nanocarbons, graphenylene, graphynes, dft.
PÁGINAS: 18
GRANDE ÁREA: Ciências Exatas e da Terra
ÁREA: Física
RESUMO:

Graphynes are a class of carbon allotropes that have attracted
considerable attention from researchers in recent years. These nanomaterials
are composed of $sp$- and $sp^{2}$-hybridized carbon atoms and are
conceptually constructed by inserting acetylenic bridges between the carbon
atoms of a fully $sp^{2}$ network. In this work, we propose two new two-
dimensional carbon systems based on the graphenylene (GP) network and
perform an investigation of the spin-polarized electronic properties of three
systems previously reported in the literature. GP is a fully-$sp^{2}$ lattice with
12 atoms and three different types of carbon bonds in its unit cell. The new
systems proposed here result from the insertion of acetylenic bridges (\(\cdots C
\equiv C \cdots\)) replacing some of the carbon–carbon bonds of the GP lattice.
We use computational simulations based on density functional theory (DFT) to
investigate its stability and electronic properties. Our results show that the
studied systems exhibit semiconducting behavior, making them promising
candidates for applications in nanoelectronics.

MEMBROS DA BANCA:
Presidente - 1548848 - EDUARDO COSTA GIRAO
Interno - 1250015 - PALOMA VIEIRA DA SILVA
Interno - 1340442 - RAMON SAMPAIO FERREIRA