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Title: Anomalous strain effect on the thermal conductivity of low-buckled two-dimensional silicene
Authors: Ding, Bin
Li, Xiaoyan
Zhou, Wuxing
Zhang, Gang
Gao, Huajian
Keywords: Engineering::Mechanical engineering
Issue Date: 2021
Source: Ding, B., Li, X., Zhou, W., Zhang, G. & Gao, H. (2021). Anomalous strain effect on the thermal conductivity of low-buckled two-dimensional silicene. National Science Review, 8(9), nwaa220-.
Journal: National Science Review
Abstract: The thermal conductivity of two-dimensional materials, such as graphene, typically decreases when tensile strain is applied, which softens their phonon modes. Here, we report an anomalous strain effect on the thermal conductivity of monolayer silicene, a representative low-buckled two-dimensional (LB-2D) material. ReaxFF-based molecular dynamics simulations are performed to show that biaxially stretched monolayer silicene exhibits a remarkable increase in thermal conductivity, by as much as 10 times the freestanding value, with increasing applied strain in the range of [0, 0.1], which is attributed to increased contributions from long-wavelength phonons. A further increase in strain in the range of [0.11, 0.18] results in a plateau of the thermal conductivity in an oscillatory manner, governed by a unique dynamic bonding behavior under extreme loading. This anomalous effect reveals new physical insights into the thermal properties of LB-2D materials and may provide some guidelines for designing heat management and energy conversion devices based on such materials.
ISSN: 2095-5138
DOI: 10.1093/nsr/nwaa220
Schools: School of Mechanical and Aerospace Engineering 
Organisations: A*STAR Institute of High Performance Computing
Rights: © The Author(s) 2020. Published by Oxford University Press on behalf of China Science Publishing & Media Ltd.This is an Open Access article distributed under the terms of the Creative Commons Attribution License (, which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:MAE Journal Articles

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