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Two-dimensional (2-D) transition metal dichalcogenides (TMDs) have shown numerous interesting physical and chemical properties, making them promising materials for electronic, optoelectronic, and energy applications. Tuning thermal…

Materials Science · Physics 2016-09-07 Xiaokun Gu , Ronggui Yang

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

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…

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 thermal properties of two-dimensional (2D) materials, like MoS$_2$, are known to be affected by interactions with their environment, but this has primarily been studied only with SiO$_2$ substrates. Here, we compare the thermal…

Materials Science · Physics 2022-05-20 Alexander J. Gabourie , Cagil Koroglu , Eric Pop

In standard molecular junctions, a molecular structure is placed between and connected to metal leads. Understanding how mechanical tuning in such molecular junctions can change heat conductance has interesting applications in nanoscale…

Soft Condensed Matter · Physics 2022-04-20 Mohammadhasan Dinpajooh , Abraham Nitzan

Despite the desirability of polymers for use in many products due to their flexibility, light weight, and durability, their status as thermal insulators has precluded their use in applications where thermal conductors are required. However,…

Computational Physics · Physics 2023-10-26 Ethan Abraham , Mohammadhasan Dinpajooh , Clàudia Climent , Abraham Nitzan

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

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

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…

The thermoelectric properties of MoS2 armchair nanoribbons with different width are studied by using first-principles calculations and Boltzmann transport theory, where the relaxation time is predicted from deformation potential theory. Due…

Mesoscale and Nanoscale Physics · Physics 2015-02-24 D. D. Fan , H. J. Liu , L. Cheng , P. H. Jiang , J. Shi , X. F. Tang

Thermal conductivity of aligned polymer molecules can be exceptionally high along the alignment direction due to energy transport through strong covalent bonds. At the same time, it is highly sensitive to molecular conformation, varying by…

Chemical Physics · Physics 2026-04-29 Igor V. Parshin , Igor V. Rubtsov , Alexander L. Burin

Low thermal conductivity of polymers, which is one of the considerable drawbacks of commonly used composite structures, has been the focus of many researchers aiming to achieve high-performance polymer-based nanocomposites through the…

Materials Science · Physics 2021-06-22 Leila Razzaghi , Maryam Khalkhali , Ali Rajabpour , Farhad Khoeini

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

The diffusion of small molecular penetrants through polymeric materials represents an important fundamental problem, relevant to the design of materials for applications such as coatings and membranes. Polymer networks hold promise in these…

Soft Condensed Matter · Physics 2023-07-07 Tsai-Wei Lin , Baicheng Mei , Kenneth S. Schweizer , Charles E. Sing

We report a record low thermal conductivity in polycrystalline MoS2 obtained by varying grain sizes and orientations in ultrathin films. By optimizing the sulphurisation parameters of nanometre-thick Mo layer, we could grow MoS2 films with…

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…

Tailoring the thermal conductivity of polymers is central to enlarge their applications in the thermal management of flexible integrated circuits. Progress has been made over the past decade by fabricating materials with various…

Chemical Physics · Physics 2016-10-12 Quanwen Liao , Lingping Zeng , Zhichun Liu , Wei Liu

The thermal transport properties of porous silicon and nano-hybrid "porous silicon/water" systems are presented here. The thermal conductivity was evaluated with equilibrium molecular dynamics technique for porous systems made of spherical…

Mesoscale and Nanoscale Physics · Physics 2020-12-03 Mykola Isaiev , Xiaorui Wang , Konstantinos Termentzidis , David Lacroix

Thermally conductive polymers are of fundamental interest and can also be exploited in thermal management applications. Recent studies have shown stretched polymers can achieve high thermal conductivity. However, the transport mechanisms of…