Banca de DEFESA: ISAQUE RÚBEN DO NASCIMENTO E SILVA

Uma banca de DEFESA de MESTRADO foi cadastrada pelo programa.
DISCENTE: ISAQUE RÚBEN DO NASCIMENTO E SILVA
DATA: 14/10/2025
HORA: 15:00
LOCAL: Remota (On-line)
TÍTULO: PROPRIEDADES ELETRÔNICAS DE UM NANOCARBONO 2D TETRAGONAL CONTENDO LIGAÇÕES ACETILÊNICAS
PALAVRAS-CHAVES: nanoeletrônica; Octite-sp; grafino; semicondutor; nanofitas.
PÁGINAS: 44
GRANDE ÁREA: Ciências Exatas e da Terra
ÁREA: Física
RESUMO:

In this work, we propose the Octite-sp, derived from the insertion of acetylenic
bridges into Octite SC. This modification changes the structural behavior from
semiconducting to metallic. Furthermore, we investigated the thermodynamic
stability of the structure using the Nosé-Hoover thermostat, and its mechanical
stability using the Born-Huang criterion. The structure showed favorable results,
indicating the possibility of synthesis. We also analyzed the electronic behavior
of nanotubes derived from Octite-sp using the zone folding technique. We found
that for the narrowest nanotube, the results are not accurate when compared to
those obtained through density functional theory (DFT). For larger nanotubes,
zone folding yields more accurate results, and we observed that they exhibit
metallic behavior, consistent with the original 2D structure. As for nanoribbons
of this material, edge geometry effects proved to be relevant, as for a given
cutting direction, it is possible to modulate the energy gap opening or closing it
depending on the nanoribbon type.

MEMBROS DA BANCA:
Presidente - 1548848 - EDUARDO COSTA GIRAO
Externo ao Programa - 1689475 - JONATHAN DA ROCHA MARTINS
Interno - 1340442 - RAMON SAMPAIO FERREIRA
Externo à Instituição - 828.***.***-91 - TELDO ANDERSON DA SILVA PEREIRA - UFMT