Origins of low lattice thermal conductivity in 2D carbon allotropes

Huicong Dong; Zhibo Zhang; Zhihao Feng; Jie Kang; Dayong Wu; Qian Wang; Jianhui Li; Ru Su

Journal of Materials Research and Technology (Mar 2021)

Origins of low lattice thermal conductivity in 2D carbon allotropes

Huicong Dong,
Zhibo Zhang,
Zhihao Feng,
Jie Kang,
Dayong Wu,
Qian Wang,
Jianhui Li,
Ru Su

Affiliations

Huicong Dong: School of Materials Science and Engineering, Hebei University of Science and Technology, Shijiazhuang, 050018, China; Guangdong Provincial Key Laboratory of Metal Toughening Technology and Application, Guangdong Institude of Materials and Processing, 510000, China; Hebei Key Laboratory of Material Near-net Forming Technology, Hebei University of Science and Technology, Shijiazhuang, 050018, China
Zhibo Zhang: Guangdong Provincial Key Laboratory of Metal Toughening Technology and Application, Guangdong Institude of Materials and Processing, 510000, China
Zhihao Feng: School of Materials Science and Engineering, Hebei University of Science and Technology, Shijiazhuang, 050018, China; Hebei Key Laboratory of Material Near-net Forming Technology, Hebei University of Science and Technology, Shijiazhuang, 050018, China; Steel Ball Technology Innovation Center of Hebei Province, Handan, 056038, China; Corresponding author.
Jie Kang: School of Materials Science and Engineering, Hebei University of Science and Technology, Shijiazhuang, 050018, China; Hebei Key Laboratory of Material Near-net Forming Technology, Hebei University of Science and Technology, Shijiazhuang, 050018, China
Dayong Wu: School of Materials Science and Engineering, Hebei University of Science and Technology, Shijiazhuang, 050018, China; Hebei Key Laboratory of Material Near-net Forming Technology, Hebei University of Science and Technology, Shijiazhuang, 050018, China
Qian Wang: School of Materials Science and Engineering, Hebei University of Science and Technology, Shijiazhuang, 050018, China; Hebei Key Laboratory of Material Near-net Forming Technology, Hebei University of Science and Technology, Shijiazhuang, 050018, China
Jianhui Li: School of Materials Science and Engineering, Hebei University of Science and Technology, Shijiazhuang, 050018, China; Hebei Key Laboratory of Material Near-net Forming Technology, Hebei University of Science and Technology, Shijiazhuang, 050018, China
Ru Su: School of Materials Science and Engineering, Hebei University of Science and Technology, Shijiazhuang, 050018, China; Hebei Key Laboratory of Material Near-net Forming Technology, Hebei University of Science and Technology, Shijiazhuang, 050018, China; Corresponding author.

Journal volume & issue: Vol. 11
pp. 1982 – 1990

Abstract

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Absract: Carbon allotropes occupy significant roles in heat conduction fields. The thermal transmission in most allotropes is determined by phonons, and ultimately, fundamentally is dependent on the properties of chemical bonds. In this paper, thermal transmission in four novel 2D carbon allotropes has been studied, including penta-graphene, Ψ-graphene, pop-graphene and net-W by using non-equilibrium molecular dynamic (NEMD) simulations and time domain normal mode analysis (TDNMA). Graphene, the standard 2D carbon allotrope, has also been examined for comparison. Our NEMD simulated results indicate that despite of the same dimension, they possess significantly different thermal properties than that of graphene: their thermal conductivities show about 85%–95% reduction of that for graphene at room temperature. TDNMA shows that the lower thermal conductivity of penta-graphene, Ψ-graphene, pop-graphene and net-W is caused by the combined action of their reduced phonon group velocities and relaxation time. Moreover, the bond difference parameter has also been applied to describe the relationship between bond properties and thermal transmission in sp2 composed carbon allotropes.

Published in Journal of Materials Research and Technology

ISSN: 2238-7854 (Print); 2214-0697 (Online)
Publisher: Elsevier
Country of publisher: Netherlands
LCC subjects: Technology: Mining engineering. Metallurgy
Website: https://www.journals.elsevier.com/journal-of-materials-research-and-technology/

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