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Both electron and phonon transport properties of single layer MoS2 (SLMoS2) are studied. Based on first-principles calculations, the electrical conductivity of SLMoS2 is calculated by Boltzmann equations. The thermal conductivity of SLMoS2…

Mesoscale and Nanoscale Physics · Physics 2015-12-07 Zelin Jin , Quanwen Liao , Haisheng Fang , Zhichun Liu , Wei Liu , Zhidong Ding , Tengfei Luo , Nuo Yang

Thermal transport in single layer molybdenum disulfide (MoS2) is critical to advancing its applications. In this paper, we use molecular dynamics (MD) simulations with first-principles force constants to study the isotope effect on the…

Materials Science · Physics 2015-10-06 Xufei Wu , Nuo Yang , Tengfei Luo

We present a parameterization of the Stillinger-Weber potential to describe the interatomic interactions within single-layer MoS2 (SLMoS2). The potential parameters are fitted to an experimentally-obtained phonon spectrum, and the resulting…

Materials Science · Physics 2013-08-14 Jin-Wu Jiang , Harold S. Park , Timon Rabczuk

Thermal transport property of homogeneous twisted molybdenum disulfide (MoS$_2$) is investigated using non-equilibrium molecular dynamics simulations with the state-of-art force fields. The simulation results demonstrate that the…

Computational Physics · Physics 2023-10-16 Wenwu Jiang , Ting Liang , Jianbin Xu , Wengen Ouyang

Modifying phonon thermal conductivity in nanomaterials is important not only for fundamental research but also for practical applications. However, the experiments on tailoring the thermal conductivity in nanoscale, especially in…

Mesoscale and Nanoscale Physics · Physics 2018-02-27 Adili Aiyiti , Shiqian Hu , Chengru Wang , Qing Xi , Zhaofang Cheng , Minggang Xia , Yanling Ma , Jianbo Wu , Jie Guo , Qilang Wang , Jun Zhou , Jie Chen , Xiangfan Xu , Baowen Li

We investigate the thermal conductivity in the armchair and zigzag MoS$_{2}$ nanoribbons, by combining the non-equilibrium Green's function approach and the first-principles method. A strong orientation dependence is observed in the thermal…

Materials Science · Physics 2013-07-12 Jin-Wu Jiang , Xiaoying Zhuang , Timon Rabczuk

Ultrathin layers of semiconducting molybdenum disulfide (MoS2) offer significant prospects in future electronic and optoelectronic applications. Although an increasing number of experiments bring light into the electronic transport…

Mesoscale and Nanoscale Physics · Physics 2014-07-10 Jing Wu , Hennrik Schmidt , Amara Kiran Kumar , Xiangfan Xu , Goki Eda , Barbaros Özyilmaz

Over the past few years, there has been a growing interest in layered transition metal dichalcogenides (TMD) such as molybdenum disulfide (MoS2). Most studies so far have focused on the electronic and optoelectronic properties of…

Mesoscale and Nanoscale Physics · Physics 2016-10-03 Morteza Kayyalha , Jesse Maassen , Mark Lundstrom , Li Shi , Yong P. Chen

Establishment of a new technique or extension of an existing technique for thermal and thermoelectric measurements to a more challenging system is an important task to explore the thermal and thermoelectric properties of various materials…

Mesoscale and Nanoscale Physics · Physics 2018-03-22 Adili Aiyiti , Xue Bai , Jing Wu , Xiangfan Xu , Baowen Li

Recent theoretical works on two-dimensional molybdenum disulfide, MoS$_2$, with sulfur vacancies predict that the suppression of thermal transport in MoS$_2$ by point defects is more prominent in monolayers and becomes negligible as layer…

Materials Science · Physics 2023-12-08 Ranjuna M K , Jayakumar Balakrishnan

An atomistic study of the thermal properties of lithiated molybdenum disulfide (MoS2) is presented and an explanation for the experimentally determined anisotropic behavior of the in- and through-plane thermal conductivity is proposed.…

Materials Science · Physics 2019-03-13 Teutë Bunjaku , Mathieu Luisier

The transition-metal dichalcogenides (TMD) MoS2 and WS2 show remarkable electromechanical properties. Strain modifies the direct band gap into an indirect one, and substantial strain even induces an semiconductor-metal transition. Providing…

We report experimental and computational studies of thermal transport properties in hexagonal boron nitride (hBN) encapsulated molybdenum disulfide (MoS2) structure using refined optothermal Raman techniques, and reveal very high…

Mesoscale and Nanoscale Physics · Physics 2021-02-11 Fan Ye , Qingchang Liu , Baoxing Xu , Philip X. -L. Feng , Xian Zhang

We measure the thermal time constants of suspended single layer molybdenum disulfide drums by their thermomechanical response to a high-frequency modulated laser. From this measurement the thermal diffusivity of single layer MoS$_2$ is…

Mesoscale and Nanoscale Physics · Physics 2018-12-05 Robin J. Dolleman , David Lloyd , J. Scott Bunch , Herre S. J. van der Zant , Peter G. Steeneken

The thermal conductivities of MoS2 and WS2 have been reported by some experimental and theoretical studies, however, the results are different from each other. Here, thermal transport properties of twelve types of single layer transition…

Computational Physics · Physics 2016-12-19 Zhongwei Zhang , Yuee Xie , Yulou Ouyang , Yuanping Chen

We characterize heat dissipation of supported molybdenum disulfide (MoS$_2$) monolayers grown by chemical vapor deposition by means of ambient-condition scanning thermal microscopy (SThM). We find that the thermal boundary conductance of…

Heat dissipation is a very critical problem for designing nano-functional devices, including MoS2/Graphene heterojunctions. In this paper we investigate thermal transport in MoS2/Graphene hybrid nanosheets under various heating conditions,…

Mesoscale and Nanoscale Physics · Physics 2015-10-20 Zhongwei Zhang , Yuee Xie , Qing Peng , Yuanping Chen

Molybdenum disulfide is considered as one of the most promising two-dimensional semiconductors for electronic and optoelectronic device applications. So far, the charge transport in monolayer molybdenum disulfide is dominated by extrinsic…

Molybdenum disulfide (MoS2) is layered transition-metal dichalcogenide (TMDC), which in its monolayer form, has the direct bandgap of 1.8 eV. We investigated the effect of width and strain on quantum transport for MoS2 armchair nanoribbons.…

Materials Science · Physics 2017-08-23 F. Tabatabaei , I. Abdolhosseini Sarsari , N. Rezaei , M. Alaei

Phonons are essential for understanding the thermal properties in monolayer transition metal dichalcogenides, which limit their thermal performance for potential applications. We investigate the lattice dynamics and thermodynamic properties…

Mesoscale and Nanoscale Physics · Physics 2016-02-23 Bo Peng , Hao Zhang , Hezhu Shao , Yuchen Xu , Xiangchao Zhang , Heyuan Zhu
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