Banca de QUALIFICAÇÃO: MÁRIO ROCHA DOS SANTOS

Uma banca de QUALIFICAÇÃO de DOUTORADO foi cadastrada pelo programa.
DISCENTE: MÁRIO ROCHA DOS SANTOS
DATA: 29/01/2021
HORA: 10:00
LOCAL: Remota - Plataforma Google Meet
TÍTULO: Electronic properties of 2D and 1D carbon allotropes based on a triphenylene structural unit.
PALAVRAS-CHAVES: Triphenylene. DFT. Carbon.
PÁGINAS: 39
GRANDE ÁREA: Ciências Exatas e da Terra
ÁREA: Física
RESUMO:

Several bottom-up chemical routes have been developed in the last years with the aim
of growing exotic nanocarbon forms through the strategical choice of molecular precursors.
Here we conduct theoretical calculations to propose a 2D nanocarbon allotrope conceptually
based on the fusion of triphenylene-like units through tetragonal rings. We show that this 2D
triphenylene form has a metallic character, with frontier states having low influence from the
direction of the reciprocal space. We also studied how the electronic properties of the system
behave when the structure is cast into nanoribbons forms. We discuss how the frontier states
need a minimal ribbon width to develop, as a consequence of their wavelegth, so that narrow
systems become semiconductor. We show that this behavior is robust, with low influence from
edge geometry and chirality, which can ease their applications in nanoscale setups.

MEMBROS DA BANCA:
Externo à Instituição - ALDILENE SARAIVA SOUZA - UFMA
Presidente - 1548848 - EDUARDO COSTA GIRAO
Externo à Instituição - JOSE GADELHA DA SILVA FILHO - UFMA
Interno - 423297 - JOSE PIMENTEL DE LIMA