Towards intrinsic phonon transport in single‐layer MoS<sub>2</sub>

Peng, Bo; Zhang, Hao; Shao, Hezhu; Xu, Yuanfeng; Zhang, Xiangchao; Zhu, Heyuan

doi:10.1002/andp.201500354

Cited by 70 publications

(46 citation statements)

References 51 publications

(98 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…where τ ph is the phonon relaxation time. We take the averaged velocity as v ≈ 300 m/s based on calculations from several theoretical works [12,34,35] and use Eq. 7 to estimate τ ph and λ.…”

Section: B Phonon Relaxation Time and Mean Free Pathmentioning

confidence: 99%

See 1 more Smart Citation

Transient thermal characterization of suspended monolayer MoS2

Dolleman

Lloyd

Lee

et al. 2018

Phys. Rev. Materials

View full text Add to dashboard Cite

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 MoS2 is found to be 1.14 × 10 −5 m 2 /s on average. Using a model for the thermal time constants and a model assuming continuum heat transport, we extract thermal conductivities at room temperature between 10 to 40 W/(m·K). Significant device-to-device variation in the thermal diffusivity is observed. Based on statistical analysis we conclude that these variations in thermal diffusivity are caused by microscopic defects that have a large impact on phonon scattering, but do not affect the resonance frequency and damping of the membrane's lowest eigenmode. By combining the experimental thermal diffusivity with literature values of the thermal conductivity, a method is presented to determine the specific heat of suspended 2D materials, which is estimated to be 255 ± 104 J/(kg·K) for single layer MoS2.

show abstract

Section: B Phonon Relaxation Time and Mean Free Pathmentioning

confidence: 99%

“…2 (c). From calculations from the literature [34] using the Boltzmann transport equation for phonons, we would expect a mean free path of 316.5 nm for naturally occurring MoS 2 . The significantly shorter mean free paths (∼20 to 60 nm) found here might be related to our use of CVD MoS 2 rather than pristine exfoliated samples.…”

Section: Device-to-device Spreadmentioning

confidence: 99%

Transient thermal characterization of suspended monolayer MoS2

Dolleman

Lloyd

Lee

et al. 2018

Phys. Rev. Materials

View full text Add to dashboard Cite

show abstract

“…1), calculations have usually been restricted to monolayers. [20][21][22][23][24][25][26] This is at least in part due to the fact that computational studies of bulk systems 27,28 require taking into account the vdW forces that mediate interlayer binding. These interactions are, however, not captured by common semi-local exchange-correlation (XC) functionals, 29 includ-ing widely popular functionals such as PBE 30 and PBEsol.…”

Section: Introductionmentioning

confidence: 99%

“…Furthermore, since vdW forces are rather weak and computational noise can blur anharmonic effects, both the choice of the XC functional and the convergence of the computational parameters require special care. 20 (c), 21 (d), 22 (e), 28 (f), 23 (g), 24 (h), 10 (i), 33 (j), 34 (k), 35 (l), 25 (m), 36 (n), 26 This perspective motivates the present study, in which we have carefully evaluated both the in-plane and out-of-plane arXiv:1605.07067v1 [cond-mat.mtrl-sci] 23 May 2016 thermal conductivities of Mo and W-based TMDs. To this end, we employ a combination of density functional and Boltzmann transport theory calculations based on the vdW density functional method 37 in combination with a recently formulated consistent-exchange part, 29,38 which has already been found to work very well for e.g., WSe 2 .…”

Section: Introductionmentioning

confidence: 99%

Thermal transport in van der Waals solids from first-principles calculations

2016

View full text Add to dashboard Cite

The lattice thermal expansion and conductivity in bulk Mo and W-based transition metal dichalcogenides are investigated by means of density functional and Boltzmann transport theory calculations. To this end, a recent van der Waals density functional (vdW-DF-CX) is employed, which is shown to yield excellent agreement with reference data for the structural parameters. The calculated in-plane thermal conductivity compares well with experimental room temperature values, when phonon-phonon and isotopic scattering are included. To explain the behavior over the entire available temperature range one must, however, include additional (temperature independent) scattering mechanisms that limit the mean free path. Generally, the primary heat carrying modes have mean free paths of 1 µm or more, which makes these materials very susceptible to structural defects. The conductivity of Mo and W-based TMDs is primarily determined by the chalcogenide species and increases in the order Te-Se-S. While for the tellurides and selenides the transition metal element has a negligible effect, the conductivity of WS2 is notably higher than for MoS2, which can be traced to the much larger phonon band gap of the former. Overall the present study provides a consistent set of thermal conductivities that reveal chemical trends and constitute the basis for future investigations of van der Waals solids.

show abstract

“…Recent years have witnessed many breakthroughs in research on two-dimensional (2D) materials due to their potential applications in next-generation electronic and energy conversion devices [1][2][3][4][5][6][7][8][9][10][11][12][13][14] . Recently, a new type of 2D material, borophene (2D boron sheet) 15 , has been successfully grown on single crystal Ag(111) substrates by two parallel experiments 16,17 .…”

Section: Introductionmentioning

confidence: 99%

Stability and strength of atomically thin borophene from first principles calculations

Peng

Zhang

Shao

et al. 2017

Materials Research Letters

Self Cite

187

104

View full text Add to dashboard Cite

A new two-dimensional (2D) material, borophene (2D boron sheet), has been grown successfully recently on single crystal Ag substrates by two parallel experiments [Mannix et al., Science, 2015, 350, 1513] [Feng et al., Nature Chemistry, 2016, advance online publication]. Three main structures have been proposed (β 12 , χ 3 and striped borophene). However, the stability of three structures is still in debate. Using first principles calculations, we examine the dynamical, thermodynamical and mechanical stability of β 12 , χ 3 and striped borophene. Free-standing β 12 and χ 3 borophene is dynamically, thermodynamically, and mechanically stable, while striped borophene is dynamically and thermodynamically unstable due to high stiffness along a direction. The origin of high stiffness and high instability in striped borophene along a direction can both be attributed to strong directional bonding.This work provides a benchmark for examining the relative stability of different structures of borophene.

show abstract

Towards intrinsic phonon transport in single‐layer MoS₂

Cited by 70 publications

References 51 publications

Transient thermal characterization of suspended monolayer MoS2

Transient thermal characterization of suspended monolayer MoS2

Thermal transport in van der Waals solids from first-principles calculations

Stability and strength of atomically thin borophene from first principles calculations

Contact Info

Product

Resources

About

Towards intrinsic phonon transport in single‐layer MoS2

Cited by 70 publications

References 51 publications

Transient thermal characterization of suspended monolayer MoS2

Transient thermal characterization of suspended monolayer MoS2

Thermal transport in van der Waals solids from first-principles calculations

Stability and strength of atomically thin borophene from first principles calculations

Contact Info

Product

Resources

About

Towards intrinsic phonon transport in single‐layer MoS₂