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Irida-graphene phonon thermal transport via non-equilibrium molecular dynamics simulations.
Felix, Isaac M; Tromer, Raphael M; Machado, Leonardo D; Galvão, Douglas S; Ribeiro, Luiz A; Pereira, Marcelo L.
Afiliação
  • Felix IM; Department of Physics, Federal University of Pernambuco, Recife, Pernambuco, Brazil.
  • Tromer RM; School of Engineering, MackGraphe, Mackenzie Presbyterian University, São Paulo, São Paulo, Brazil.
  • Machado LD; Department of Physics, Federal University of Rio Grande do Norte, Natal, Rio Grande do Norte, Brazil.
  • Galvão DS; Department of Applied Physics and Center for Computational Engineering and Sciences, State University of Campinas, Campinas, São Paulo, Brazil.
  • Ribeiro LA; University of Brasília, Institute of Physics, Brasília, Federal District, Brazil.
  • Pereira ML; University of Brasília, College of Technology, Department of Electrical Engineering, Brasília, Federal District, Brazil. marcelo.lopes@unb.br.
Nanoscale ; 16(35): 16430-16438, 2024 Sep 12.
Article em En | MEDLINE | ID: mdl-39171412
ABSTRACT
Recently, a new 2D carbon allotrope called Irida-Graphene (Irida-G) was proposed, and its reliable stability has been previously predicted. Irida-G is a flat sheet topologically arranged into 3-6-8 carbon rings exhibiting metallic and non-magnetic properties. In this study, we investigated the thermal transport properties of Irida-G using classical reactive molecular dynamics simulations. The findings indicate that Irida-G has an intrinsic thermal conductivity of approximately 215 W mK-1 at room temperature, significantly lower than that of pristine graphene. This decrease is due to characteristic phonon scattering within Irida-G's porous structure. Additionally, the phonon group velocities and vibrational density of states for Irida-G were analyzed, revealing reduced average phonon group velocities compared to graphene. The thermal conductivity of Irida-G is isotropic and shows significant size effects, transitioning from ballistic to diffusive heat transport regimes as the system length increases. These results suggest that while Irida-G has lower thermal conductivity than graphene, it still holds potential for specific thermal management applications, sharing characteristics with other two-dimensional materials.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Nanoscale Ano de publicação: 2024 Tipo de documento: Article País de afiliação: Brasil País de publicação: Reino Unido
Texto completo
Adicionar na Minha BVS
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Nanoscale Ano de publicação: 2024 Tipo de documento: Article País de afiliação: Brasil País de publicação: Reino Unido