Anomalous strain effect on the thermal conductivity of low-buckled two-dimensional silicene
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 (L...
| Váldodahkkit: | , , , , |
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| Eará dahkkit: | |
| Materiálatiipa: | Journal Article |
| Giella: | English |
| Almmustuhtton: |
2022
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| Fáttát: | |
| Liŋkkat: | https://hdl.handle.net/10356/153974 |
| _version_ | 1826119565265862656 |
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| author | Ding, Bin Li, Xiaoyan Zhou, Wuxing Zhang, Gang Gao, Huajian |
| author2 | School of Mechanical and Aerospace Engineering |
| author_facet | School of Mechanical and Aerospace Engineering Ding, Bin Li, Xiaoyan Zhou, Wuxing Zhang, Gang Gao, Huajian |
| author_sort | Ding, Bin |
| collection | NTU |
| description | 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. |
| first_indexed | 2024-10-01T05:02:07Z |
| format | Journal Article |
| id | ntu-10356/153974 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T05:02:07Z |
| publishDate | 2022 |
| record_format | dspace |
| spelling | ntu-10356/1539742022-01-17T08:35:16Z Anomalous strain effect on the thermal conductivity of low-buckled two-dimensional silicene Ding, Bin Li, Xiaoyan Zhou, Wuxing Zhang, Gang Gao, Huajian School of Mechanical and Aerospace Engineering A*STAR Institute of High Performance Computing Engineering::Mechanical engineering Low-Buckled Two-Dimensional Materials Strain Effect 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. Agency for Science, Technology and Research (A*STAR) Published version This work was supported by the Agency for Science, Technology and Research (A∗STAR). 2022-01-17T08:35:16Z 2022-01-17T08:35:16Z 2021 Journal Article 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-. https://dx.doi.org/10.1093/nsr/nwaa220 2095-5138 https://hdl.handle.net/10356/153974 10.1093/nsr/nwaa220 34691724 2-s2.0-85116506444 9 8 nwaa220 en National Science Review © 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 (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited. application/pdf |
| spellingShingle | Engineering::Mechanical engineering Low-Buckled Two-Dimensional Materials Strain Effect Ding, Bin Li, Xiaoyan Zhou, Wuxing Zhang, Gang Gao, Huajian Anomalous strain effect on the thermal conductivity of low-buckled two-dimensional silicene |
| title | Anomalous strain effect on the thermal conductivity of low-buckled two-dimensional silicene |
| title_full | Anomalous strain effect on the thermal conductivity of low-buckled two-dimensional silicene |
| title_fullStr | Anomalous strain effect on the thermal conductivity of low-buckled two-dimensional silicene |
| title_full_unstemmed | Anomalous strain effect on the thermal conductivity of low-buckled two-dimensional silicene |
| title_short | Anomalous strain effect on the thermal conductivity of low-buckled two-dimensional silicene |
| title_sort | anomalous strain effect on the thermal conductivity of low buckled two dimensional silicene |
| topic | Engineering::Mechanical engineering Low-Buckled Two-Dimensional Materials Strain Effect |
| url | https://hdl.handle.net/10356/153974 |
| work_keys_str_mv | AT dingbin anomalousstraineffectonthethermalconductivityoflowbuckledtwodimensionalsilicene AT lixiaoyan anomalousstraineffectonthethermalconductivityoflowbuckledtwodimensionalsilicene AT zhouwuxing anomalousstraineffectonthethermalconductivityoflowbuckledtwodimensionalsilicene AT zhanggang anomalousstraineffectonthethermalconductivityoflowbuckledtwodimensionalsilicene AT gaohuajian anomalousstraineffectonthethermalconductivityoflowbuckledtwodimensionalsilicene |