Zhitong Wang

Dalian University of Technology

Huiying Rd

DaLian, LiaoNing, 116024

China

  • Dalian University of Technology

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Substrate-Induced Bonding Asymmetry Leading to Strong Phonon Anharmonicity and Largely Reduced Thermal Conductivity of Monolayer Xs2 (X = Mo and W) from First-Principles Calculations

Number of pages: 24 Posted: 09 Aug 2023
Zhitong Wang, Sen Liu, Xiaoliang Zhang, Yufei Gao and Dawei Tang
Dalian University of Technology, Dalian University of Technology, Dalian University of Technology, Dalian University of Technology and Dalian University of Technology - Key Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of Education
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Abstract:

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monolayer XS2 (X = Mo, W), thermal conductivity, substrate effects, asymmetric bonding, first-principles calculations