The unexpected non-monotonic inter-layer bonding dependence of the thermal conductivity of bilayered boron nitride

Gao, Yufei; Zhang, Xiaoliang; Jing, Yuhang; Hu, Ming

doi:10.1039/c4nr07359b

Cited by 25 publications

(15 citation statements)

References 44 publications

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“…Thus, it can be concluded that the redshi of the phonons with high frequency results in the low thermal conductivity of Si/Ge hetero-twinned SLs. 29 Besides, the similar PDOS of bulk twinned Si and the single crystal Si can also be observed, which indicates the weak phonon scattering at twin boundaries.…”

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confidence: 65%

Low thermal conductivity in Si/Ge hetero-twinned superlattices

et al. 2017

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The thermophysical properties of Si/Ge hetero-twinned superlattices (SLs) are investigated by nonequilibrium molecular dynamic simulations. The results indicate that the Si/Ge hetero-twinned SLs show low thermal conductivity, which is similar to that of conventional Si/Ge SLs. Analysis with phonon kinetic theory shows that low thermal conductivity in the Si/Ge hetero-twinned SLs is caused by the combined actions of reduced phonon group velocity and reduced relaxation time. Moreover, despite similar thermal conductivity in Si/Ge hetero-twinned SLs and conventional Si/Ge SLs, the phonon group velocity and relaxation time in the two structures are totally different. Our results demonstrate the potential of a new kind of SLs with strong phonon scattering.

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confidence: 65%

Low thermal conductivity in Si/Ge hetero-twinned superlattices

et al. 2017

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“…where is the wave vector in the first Brillouin zone, ν is the phonon branch, κ α denotes the thermal conductivity in α direction, c ph is phonon volumetric specific heat calculated by , k B is the Boltzmann constant, V is the system volume, υ g,α is α -component of the phonon group velocity, τ is the phonon lifetime. Note that the above phonon SED method has been successfully used by us to perform the phonon mode analysis for a wide variety of nanostructures, e.g., two-dimensional silicene 22 , boron nitride (BN) 14 , and one-dimensional graphyne nanotubes 23 . Other researchers have also investigated the phonon lifetime of graphene using the SED method 24 or an exact numerical solution of the Boltzmann transport equation 25 .…”

Section: Discussionmentioning

confidence: 99%

“…However, in fact, interlayer bonding ( Fig. 1 ) has a complicated effect on the in-plane thermal conductivity of bilayer two-dimensional structures, depending on not only the interlayer bonding density but also the detailed topological configuration of the interlayer bonds 14 .…”

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confidence: 99%

Robustly Engineering Thermal Conductivity of Bilayer Graphene by Interlayer Bonding

Zhang

Gao

Chen

et al. 2016

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Graphene and its bilayer structure are the two-dimensional crystalline form of carbon, whose extraordinary electron mobility and other unique features hold great promise for nanoscale electronics and photonics. Their realistic applications in emerging nanoelectronics usually call for thermal transport manipulation in a controllable and precise manner. In this paper we systematically studied the effect of interlayer covalent bonding, in particular different interlay bonding arrangement, on the thermal conductivity of bilayer graphene using equilibrium molecular dynamics simulations. It is revealed that, the thermal conductivity of randomly bonded bilayer graphene decreases monotonically with the increase of interlayer bonding density, however, for the regularly bonded bilayer graphene structure the thermal conductivity possesses unexpectedly non-monotonic dependence on the interlayer bonding density. The results suggest that the thermal conductivity of bilayer graphene depends not only on the interlayer bonding density, but also on the detailed topological configuration of the interlayer bonding. The underlying mechanism for this abnormal phenomenon is identified by means of phonon spectral energy density, participation ratio and mode weight factor analysis. The large tunability of thermal conductivity of bilayer graphene through rational interlayer bonding arrangement paves the way to achieve other desired properties for potential nanoelectronics applications involving graphene layers.

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“…17 Bulk SnSe is especially a robust thermoelectric candidate for energy conversion applications in the low and moderate temperature range due to its anisotropic and low symmetry crystal structure. 1,2 The discovery of graphene leads to an upsurge in exploring two-dimensional (2D) materials, [18][19][20][21] such as hexagonal boron nitride (h-BN), germanene, silicene, transition metal dichalcogenides (TMDCs) and phospho-rene, which have attracted tremendous attention due to their unique dimension-dependent properties. 22 In addition to the currently available 2D materials, 2D SnSe has been recently synthesized, which is greatly expected to be potential in the applications as photodetector, photovoltaic, piezoelectric and thermoelectric devices.…”

Section: Introductionmentioning

confidence: 99%

Diverse anisotropy of phonon transport in two-dimensional group IV–VI compounds: A comparative study

et al. 2016

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New classes two-dimensional (2D) materials beyond graphene, including layered and non-layered, and their heterostructures, are currently attracting increasing interest due to their promising applications in nanoelectronics, optoelectronics and clean energy, where thermal transport property is one of the fundamental physical parameters. In this paper, we systematically investigated the phonon transport properties of 2D orthorhombic group IV-VI compounds of GeS, GeSe, SnS and SnSe by solving the Boltzmann transport equation (BTE) based on first-principles calculations. Despite the similar puckered (hinge-like) structure along the armchair direction as phosphorene, the four monolayer compounds possess diverse anisotropic properties in many aspects, such as phonon group velocity, Young's modulus and lattice thermal conductivity (κ), etc. Especially, the κ along the zigzag and armchair directions of monolayer GeS shows the strongest anisotropy while monolayer SnS and SnSe shows an almost isotropy in phonon transport. The origin of the diverse anisotropy is fully studied and the underlying mechanism is discussed in detail. With limited size, the κ could be effectively lowered, and the anisotropy could be effectively modulated by nanostructuring, which would extend the applications in nanoscale thermoelectrics and thermal management. Our study offers fundamental understanding of the anisotropic phonon transport properties of 2D materials, and would be of significance for further study, modulation and applications in emerging technologies.

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The unexpected non-monotonic inter-layer bonding dependence of the thermal conductivity of bilayered boron nitride

Cited by 25 publications

References 44 publications

Low thermal conductivity in Si/Ge hetero-twinned superlattices

Low thermal conductivity in Si/Ge hetero-twinned superlattices

Robustly Engineering Thermal Conductivity of Bilayer Graphene by Interlayer Bonding

Diverse anisotropy of phonon transport in two-dimensional group IV–VI compounds: A comparative study

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