Residential College | false |
Status | 已發表Published |
Strong reduction of thermal conductivity of WSe2with introduction of atomic defects | |
Wang, Bowen; Yan, Xuefei; Yan, Hejin; Cai, Yongqing | |
2022-04-20 | |
Source Publication | Nanotechnology |
ISSN | 0957-4484 |
Volume | 33Issue:27Pages:275706 |
Abstract | The thermal conductivities of pristine and defective single-layer tungsten diselenide (WSe2) are investigated by using equilibrium molecular dynamics method. The thermal conductivity of WSe2increases dramatically with size below a characteristic of ~5 nm and levels off for broader samples and reaches a constant value of ~2 W/mK. By introducing atomic vacancies, we discovered that the thermal conductivity of WSe2is significantly reduced. In particular, the W vacancy has a greater impact on thermal conductivity reduction than Se vacancies: the thermal conductivity of pristine WSe2is reduced by ~60% and ~70% with the adding of ~1% of Se and W vacancies, respectively. The reduction of thermal conductivity is found to be related to the decrease of mean free path (MFP) of phonons in the defective WSe2. The MFP of WSe2decreases from ~4.2 nm for perfect WSe2to ~2.2 nm with the addition of 0.9% Se vacancies. More sophisticated types of point defects, such as vacancy clusters and anti-site defects, are explored in addition to single vacancies and are found to dramatically renormalize the phonons. The reconstruction of the bonds leads to localized phonons in the forbidden gap in the phonon density of states which leads to a drop in thermal conduction. This work demonstrates the influence of different defects on the thermal conductivity of single-layer WSe2, providing insight into the process of defect-induced phonon transport as well as ways to improve heat dissipation in WSe2-based electronic devices. |
Keyword | Atomic Defects Molecular Dynamics Phonon Single-layer Wse2 Thermal Conductivity |
DOI | 10.1088/1361-6528/ac622d |
URL | View the original |
Indexed By | SCIE |
Language | 英語English |
WOS Research Area | Science & Technology - Other Topics ; Materials Science ; Physics |
WOS Subject | Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied |
WOS ID | WOS:000783986500001 |
Publisher | IOP Publishing LtdTEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND |
Scopus ID | 2-s2.0-85128800811 |
Fulltext Access | |
Citation statistics | |
Document Type | Journal article |
Collection | INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING |
Corresponding Author | Cai, Yongqing |
Affiliation | Institute of Applied Physics and Materials Engineering, University of Macau, Macau, China |
First Author Affilication | INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING |
Corresponding Author Affilication | INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING |
Recommended Citation GB/T 7714 | Wang, Bowen,Yan, Xuefei,Yan, Hejin,et al. Strong reduction of thermal conductivity of WSe2with introduction of atomic defects[J]. Nanotechnology, 2022, 33(27), 275706. |
APA | Wang, Bowen., Yan, Xuefei., Yan, Hejin., & Cai, Yongqing (2022). Strong reduction of thermal conductivity of WSe2with introduction of atomic defects. Nanotechnology, 33(27), 275706. |
MLA | Wang, Bowen,et al."Strong reduction of thermal conductivity of WSe2with introduction of atomic defects".Nanotechnology 33.27(2022):275706. |
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