Temperature-Dependent Thermal Boundary Conductance of Monolayer MoS<sub>2</sub> by Raman Thermometry

Yalon, Eilam; Aslan, Özgür Burak; Smithe, Kirby K. H.; McClellan, Connor J.; Suryavanshi, Saurabh V.; Xiong, Feng; Sood, Aditya; Neumann, Christopher M.; Xu, Xiaoqing; Goodson, Kenneth E.; Heinz, Tony F.; Pop, Eric

doi:10.1021/acsami.7b11641

Cited by 145 publications

(176 citation statements)

References 47 publications

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“…9 For monolayer MoS2 D ~ 262 K 37 (for bulk MoS2 D ~ 300 K), 35 thus we avoid temperatures below 150 K in our simulations, where MD results are expected to be less accurate. 4,8 is found to be between simulations values of χ =1 and χ = 2 (for higher temperature the data is closer to χ = 2 results), which suggests that the interaction between MoS2 and SiO2 is likely to be stronger than that estimated by the mixing rules and the UFF model. 30 This is likely because the mixing rules do not accurately consider polarization when two different atoms are brought in contact with each other.…”

Section: Simulation Detailssupporting

confidence: 60%

Thermal boundary conductance of two-dimensional MoS2 interfaces

Suryavanshi

Gabourie

Farimani

et al. 2019

Journal of Applied Physics

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Understanding the thermal properties of two-dimensional (2D) materials and devices is essential for thermal management of 2D applications. Here we perform molecular dynamics simulations to evaluate both the specific heat of MoS2 as well as the thermal boundary conductance (TBC) between one to five layers of MoS2 with amorphous SiO2 and between single-layer MoS2 and crystalline AlN. The results of all calculations are compared to existing experimental data. In general, the TBC of such 2D interfaces is low, below ~20 MWm -2 K -1 , due to the weak van der Waals (vdW) coupling and mismatch of phonon density of states (PDOS) between materials. However, the TBC increases with vdW coupling strength, with temperature, and with the number of MoS2 layers (which introduce additional phonon modes). These findings suggest that the TBC of 2D materials is tunable by modulating their interface interaction, the number of layers, and finding a PDOSmatched substrate, with important implications for future energy-efficient 2D electronics, photonics, and thermoelectrics.

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Section: Simulation Detailssupporting

confidence: 60%

Thermal boundary conductance of two-dimensional MoS2 interfaces

Suryavanshi

Gabourie

Farimani

et al. 2019

Journal of Applied Physics

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“…Similar to the reported values of h K for interfaces with graphene, Yasaei et al measured the conductance across MoS 2 on SiO 2 /Si at room temperature via electrical thermometry technique and found h K in the range of ≈20.3 to 33.5 MW m −2 K −1 across the dimensionally mismatched interfaces. Similarly, Yalon et al reported a lower value of ≈15 MW m −2 K −1 for MoS 2 with AlN and SiO 2 at room temperature, using Raman thermometry with laser‐induced heating. A comparatively higher conductance of 62.5 MW m −2 K −1 has been reported for metal‐coated single‐layer boron nitride on SiO 2 substrate via a 3ω technique .…”

Section: Thermal Boundary Conductance Across Interfaces Composed Of 2mentioning

confidence: 77%

A Review of Experimental and Computational Advances in Thermal Boundary Conductance and Nanoscale Thermal Transport across Solid Interfaces

Giri

Hopkins

2019

Adv Funct Materials

219

152

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Interfacial thermal resistance is the primary impediment to heat flow in materials and devices as characteristic lengths become comparable to the mean‐free paths of the energy carriers. This thermal boundary conductance across solid interfaces at the nanoscale can affect a plethora of applications. The recent experimental and computational advances that have led to significant atomistic insights into the nanoscopic thermal transport mechanisms at interfaces between various types of materials are summarized. The authors focus on discussions of works that have pushed the limits to interfacial heat transfer and drastically increased the understanding of thermal boundary conductance on the atomic and nanometer scales near solid/solid interfaces. Specifically, the role of localized interfacial modes on the energy conversion processes occurring at interfaces is emphasized in this review. The authors also focus on experiments and computational works that have challenged the traditionally used phonon gas models in interpreting the physical mechanisms driving interfacial energy transport. Finally, the authors discuss the future directions and avenues of research that can further the knowledge of heat transfer across systems with broken symmetries.

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“…The Raman‐sensitive peaks of the measured sample would serve as a temperature thermometer while the incident heat source is from the heating by either electrical or optical means. A sketch of a Raman laser heating setup is shown in Figure a, where the interface thermal transport across monolayer MoS 2 and SiO 2 /AlN substrate is measured . For MoS 2 , the positions of E 1 2g and A 1g show redshift with increasing temperature, which works as a temperature indicator, and its absorption power is obtained from the absorbed incident laser power of one free‐standing monolayer MoS 2 by considering the substrate enhancement effect.…”

Section: Interface Thermal Resistance In 2d Devicesmentioning

confidence: 89%

“…For MoS 2 , the positions of E 1 2g and A 1g show redshift with increasing temperature, which works as a temperature indicator, and its absorption power is obtained from the absorbed incident laser power of one free‐standing monolayer MoS 2 by considering the substrate enhancement effect. Although MD simulations show that the interface thermal conductance of MoS 2 on Au substrate is as high as 135–221 MW m −2 K −1 , the results obtained by the Raman technique are considerably lower–0.44 ± 0.07 MW m −2 K −1 for MoS 2 ‐Au, 1.94 MW m −2 K −1 for MoS 2 ‐SiO 2 , 17.0 MW m −2 K −1 for MoS 2 ‐h‐BN, and 15 MW m −2 K −1 for MoS 2 ‐AlN . The variations in the measured interface thermal conductance probably originate from the different interface quality prepared by the wet transfer method .…”

Section: Interface Thermal Resistance In 2d Devicesmentioning

confidence: 89%

Thermal Transport in 2D Semiconductors—Considerations for Device Applications

Zhao

Cai

Zhang

et al. 2019

Adv Funct Materials

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The discovery of graphene has stimulated the search for and investigations into other 2D materials because of the rich physics and unusual properties exhibited by many of these layered materials. Transition metal dichalcogenides (TMDs), black phosphorus, and SnSe among many others, have emerged to show highly tunable physical and chemical properties that can be exploited in a whole host of promising applications. Alongside the novel electronic and optical properties of such 2D semiconductors, their thermal transport properties have also attracted substantial attention. Here, a comprehensive review of the unique thermal transport properties of various emerging 2D semiconductors is provided, including TMDs, black‐ and blue‐phosphorene among others, and the different mechanisms underlying their thermal conductivity characteristics. The focus is placed on the phonon‐related phenomena and issues encountered in various applications based on 2D semiconductor materials and their heterostructures, including thermoelectric power generation and electron–phonon coupling effect in photoelectric and thermal transistor devices. A thorough understanding of phonon transport physics in 2D semiconductor materials to inform thermal management of next‐generation nanoelectronic devices is comprehensively presented along with strategies for controlling heat energy transport and conversion.

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Temperature-Dependent Thermal Boundary Conductance of Monolayer MoS₂ by Raman Thermometry

Cited by 145 publications

References 47 publications

Thermal boundary conductance of two-dimensional MoS2 interfaces

Thermal boundary conductance of two-dimensional MoS2 interfaces

A Review of Experimental and Computational Advances in Thermal Boundary Conductance and Nanoscale Thermal Transport across Solid Interfaces

Thermal Transport in 2D Semiconductors—Considerations for Device Applications

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Temperature-Dependent Thermal Boundary Conductance of Monolayer MoS2 by Raman Thermometry

Cited by 145 publications

References 47 publications

Thermal boundary conductance of two-dimensional MoS2 interfaces

Thermal boundary conductance of two-dimensional MoS2 interfaces

A Review of Experimental and Computational Advances in Thermal Boundary Conductance and Nanoscale Thermal Transport across Solid Interfaces

Thermal Transport in 2D Semiconductors—Considerations for Device Applications

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Temperature-Dependent Thermal Boundary Conductance of Monolayer MoS₂ by Raman Thermometry