Mestrado em Física

URI Permanente para esta coleção

http://repositorio.ufes.br/handle/10/17494

Nível: Mestrado Acadêmico
Ano de início: 1992
Conceito atual na CAPES: 4
Ato normativo: Parecer CES/CNE nº 487/2018, homologado pela Port. MEC 609, publicado no DOU em 18/03/2019.
Periodicidade de seleção: Semestral
Área(s) de concentração: Física
Url do curso: https://fisica.ufes.br/pt-br/pos-graduacao/PPGFis/detalhes-do-curso?id=1508

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Navegando Mestrado em Física por Autor "Amorim, Rodrigo Garcia"

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    Estudo teórico de dopagem, adsorção e intercalação de vanádio em monocamada e bicamada de disseleneto de molibdênio - MoSe2
    (Universidade Federal do Espírito Santo, 2022-03-18) Piero, João Vitor Bastos Del; Scopel, Wanderlã Luis; https://orcid.org/0000000220918121; http://lattes.cnpq.br/1465127043013658; https://orcid.org/0000000150083949; Amorim, Rodrigo Garcia; Paz, Wendel Silva; http://lattes.cnpq.br/8332147920469110; Alfonso, Jorge Luis Gonzalez; http://lattes.cnpq.br/9030024304752445
    In this dissertation, the results of computer simulations of two-dimensional structures using the density functional theory (DFT) will be presented. Doping, adsorption and intercalation studies of vanadium atoms in monolayers and bilayers of molybdenum dise lenide, MoSe2 will be carried out. The results obtained show that it is possible to control the electronic, structural and magnetic properties of the two-dimensional structures from the vanadium concentration to be considered in each of the proposed configurations. Among the observed changes, there is a reduction in the energy gap of the monolayer when doping with vanadium is performed, while in the bilayer there is the appearance of non-zero total magnetic moment magnetization and the variation of its final thickness when the doping and intercalation processes are carried out. For the bilayer it was found that both doping and intercalation are tools to control the magnetic properties of the material. In the other hand, for some structures it is possible to have the coexistence between the ferromagnetic and antiferromagnetic phases at room temperature, since the energy di↵erence between the phases did not exceed 20meV . Someof theseresults in dicate the possible application of such structures in electronics and spintronics devices.
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    Intercalação de lítio na heteroestrutura Janus WSSe/Siliceno
    (Universidade Federal do Espírito Santo, 2024-02-06) Cintra, Gabriel Borelli; Scopel, Wanderlã Luis ; http://lattes.cnpq.br/1465127043013658; http://lattes.cnpq.br/1465127043013658; https://orcid.org/0009-0001-6800-058X; http://lattes.cnpq.br/2616847589105783; Amorim, Rodrigo Garcia ; https://orcid.org/0000-0001-9611-8772; http://lattes.cnpq.br/0616474769970457; Souza, Fábio Arthur Leão de ; https://orcid.org/0000-0002-6158-7330; http://lattes.cnpq.br/1140962711692698
    In this dissertation, a theoretical study is presented through computer simulations based on the density functional theory (DFT) to investigate the electronic and structural properties of the WSSe/Silicene heterostructure and its applicability as an electrode for a lithium ion battery. To achieve this, the lithium interaction with each monolayer was examined, indicating a symbiotic relationship in the formation of the heterostructure, resulting in electronic and structural characteristics conducive to energy storage. The conducted calculations reveal that (1) the formation of the heterostructure is an exothermic process, yielding a conductive material, (2) lithium adsorption is energetically favorable with binding energies on the order of 3.0 eV for the heterostructure, exhibiting a metallic character in the obtained structure, (3) the energy barrier for ion diffusion is on the order of 0.34 eV, (4) the open-circuit voltage measured with ion concentration variation ranged from 1.29 to 1.02 V, decreasing with increasing concentration. Based on the obtained results, the studied heterostructure possesses suitable characteristics for an anode material