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Enhanced Elastocaloric Effects in γ-Graphyne

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Autor(es):
Kanegae, Guilherme B. ; Pereira Junior, Marcelo L. ; Galvao, Douglas S. ; Ribeiro Junior, Luiz A. ; Fonseca, Alexandre F.
Número total de Autores: 5
Tipo de documento: Artigo Científico
Fonte: ACS APPLIED MATERIALS & INTERFACES; v. N/A, p. 9-pg., 2024-05-06.
Resumo

The global emphasis on sustainable technologies has become a paramount concern for nations worldwide. Specifically, numerous sustainable methods are being explored as promising alternatives to the well-established vapor-compression technologies in cooling and heating devices. One such avenue gaining traction within the scientific community is the elastocaloric (eC) effect. This phenomenon holds promise for efficient cooling and heating processes without causing environmental harm. Studies carried out at the nanoscale have demonstrated the efficiency of the eC effect, proving to be comparable to that of state-of-the-art macroscopic systems. In this study, we used classical molecular dynamics simulations to investigate the elastocaloric effect for the recently synthesized gamma-graphyne. Our analysis goes beyond obtaining changes in eC temperature and the coefficient of performance (COP) for two species of gamma-graphyne nanoribbons (armchair and zigzag). We also explore their dependence on various conditions, including whether they are deposited on a substrate or prestrained. Our findings reveal a substantial enhancement in the elastocaloric effect for gamma-graphyne nanoribbons when subjected to prestrain, amplifying it by at least 1 order of magnitude. Under certain conditions, the changes in the eC temperature and the COP of the structures reach expressive values as high as 224 K and 14, respectively. We discuss the implications of these results by examining the shape and behavior of the carbon-carbon bond lengths within the structures. (AU)

Processo FAPESP: 23/02651-0 - Modelagem e simulação de materiais e estruturas com propriedades mecânicas especiais
Beneficiário:Alexandre Fontes da Fonseca
Modalidade de apoio: Bolsas no Exterior - Pesquisa
Processo FAPESP: 13/08293-7 - CECC - Centro de Engenharia e Ciências Computacionais
Beneficiário:Munir Salomao Skaf
Modalidade de apoio: Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs