Banca de DEFESA: Bruna Cristina Corcino Carneiro
Uma banca de DEFESA de MESTRADO foi cadastrada pelo programa.STUDENT : Bruna Cristina Corcino Carneiro
DATE: 21/12/2023
TIME: 14:00
LOCAL: Remoto
TITLE:
Studies of cyclic structures: nanobelts of boron nitride and double nanorings.
KEY WORDS:
BN-Nanobelt, Double Nanorings, Electronic, Optics, DFT.
PAGES: 78
BIG AREA: Ciências Exatas e da Terra
AREA: Física
SUMMARY:
Since the 1950s, theoretical researchers in the field of nanomaterials have focused their attention on developing computational methods capable of creating nanotube structures that can be recreated in nature with the aim of contributing to the technological market. From this perspective, this research proposes the creation and analysis of nanoring and nanobelt structures that can contribute to the construction and physical characterization of nanotubes. In this work, 19 nanoring structures were developed, theorized and calculated using Density Functional Theory (DFT), which proved to be stable and promising to be synthesized. Their computational calculations presented relevant results based on the analysis of convergence criteria, such as: analysis of structural, electronic and optical properties. However, some of these structures showed significant results electronically: three of them showed superconducting properties and one structure showed insulating properties. All of these electronic properties have promising applications in the cosmetic and energy industries, which means that this research can indirectly contribute to the well-being of society. Furthermore, a nanobelt structure was developed, the Boron Nitride nanobelts. It was calculated using DFT and Time-Dependent Density Functional Theory (TDFT) and it was identified that it could be a possible replacement for [12]cyclofenacene as it is more stable and less energetic, which contributes to the detection of ultraviolet radiation (UV).
COMMITTEE MEMBERS:
Presidente - 407633 - DAVID LIMA AZEVEDO
Externo à Instituição - EDVAN MOREIRA - UEMA
Interno - ***.399.804-** - FERNANDO ALBUQUERQUE DE OLIVEIRA - UnB
Interno - 1273560 - RICARDO GARGANO