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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

Multilayer MoS2 possesses highly anisotropic thermal conductivities along in-plane and cross-plane directions that could hamper heat dissipation in electronics. With about 9% cross-plane compressive strain created by hydrostatic pressure in…

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

Single layer molybdenum disulfide (SLMoS2), a semiconductor possesses intrinsic bandgap and high electron mobility, has attracted great attention due to its unique electronic, optical, mechanical and thermal properties. Although thermal…

Mesoscale and Nanoscale Physics · Physics 2019-06-14 Han Meng , Dengke Ma , Xiaoxiang Yu , Lifa Zhang , Zhijia Sun , Nuo Yang

The possibility of tuning the vibrational properties and the thermal conductivity of layered van der Waals materials either chemically or mechanically paves the way to significant advances in nanoscale heat management. Using…

Materials Science · Physics 2019-05-15 Shunda Chen , Aditya Sood , Eric Pop , Kenneth E. Goodson , Davide Donadio

Cross-plane thermal conductivity in homogeneous transition metal dichalcogenides (TMDs) exhibits a strong dependence on twist angle, originating from atomic reconstruction within moir\'e superlattices. This reconstruction redistributes…

Materials Science · Physics 2025-05-02 Wenwu Jiang , Ting Liang , Hekai Bu , Jianbin Xu , Wengen Ouyang

For conventional materials, the thermal conductivity of thin film is usually suppressed when the thickness decreases due to phonon-boundary scattering. However, this is not necessarily true for the van der Waals solids if the thickness is…

Materials Science · Physics 2016-03-01 Xiaokun Gu , Baowen Li , Ronggui Yang

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

Transition metal dichalcogenide (TMD) alloys have attracted great interests in recent years due to their tunable electronic properties, especially the semiconductor-metal phase transition, along with their potential applications in…

Materials Science · Physics 2018-06-13 Xin Qian , Puqing Jiang , Peng Yu , Xiaokun Gu , Zheng Liu , Ronggui Yang

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

Molybdenum disulfide (MoS$_2$) is a promising material for making two-dimensional crystals and flexible electronic and optoelectronic devices at the nanoscale. MoS$_2$ flakes can show high mobilities and have even been integrated in…

Materials Science · Physics 2015-06-15 Mohamed Boukhicha , Matteo Calandra , Marie-Aude Measson , Ophelie Lancry , Abhay Shukla

Two dimensional (2D) materials such as graphene and transition metal dichalcogenides (TMDC) have received extensive research interests and investigations in the past decade. In this research, we report the first experimental measurement of…

Materials Science · Physics 2024-12-10 Jun Liu , Mengqi Fang , Eui-Hyeok Yang , Xian Zhang

Thermal properties of molybdenum disulfide (MoS$_2$) have recently attracted attention related to fundamentals of heat propagation in strongly anisotropic materials, and in the context of potential applications to optoelectronics and…

First principles density functional theory based calculations have been performed to investigate the strain and temperature induced tunability of the thermoelectric properties of monolayer (ML) MoS$_2$. Modifications in the electronic and…

Materials Science · Physics 2023-08-02 Saumen Chaudhuri , Amrita Bhattacharya , A. K. Das , G. P. Das , B. N. Dev

Understanding the physical processes involved in interfacial heat transfer is critical for the interpretation of thermometric measurements and the optimization of heat dissipation in nanoelectronic devices that are based on transition metal…

Mesoscale and Nanoscale Physics · Physics 2021-01-12 Zhun-Yong Ong , Yongqing Cai , Gang Zhang , Yong-Wei Zhang

In two-dimensional materials, structure difference induces the difference in phonon dispersions, leading to the anisotropy of in-plane thermal transport. Here, we report an exceptional case in layered PdSe2, where the bonding, force…

Materials Science · Physics 2021-12-30 Bin Wei , Junyan Liu , Qingan Cai , Ahmet Alatas , Ayman H. said , Chen Li , Jiawang Hong

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

The cross-plane (across-layers) phonon thermal transport of five diverse, layered semiconductors is investigated by accounting for higher-order four-phonon scattering, phonon renormalization, and multi-channel thermal transport. For…

Materials Science · Physics 2023-11-07 Amey G. Gokhale , Ankit Jain

Group-VI transition metal dichalcogenides (TMDs), MoS$_2$ and MoSe$_2$, have emerged as prototypical low-dimensional systems with distinctive phononic and electronic properties, making them attractive for applications in nanoelectronics,…

Materials Science · Physics 2025-09-18 Tugbey Kocabas , Murat Keceli , Tanju Gurel , Milorad Milosevic , Cem Sevik

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
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