scholarly journals Ultra-low lattice thermal conductivity of monolayer penta-silicene and penta-germanene

2019 ◽  
Vol 21 (47) ◽  
pp. 26033-26040 ◽  
Author(s):  
Zhibin Gao ◽  
Zhaofu Zhang ◽  
Gang Liu ◽  
Jian-Sheng Wang
Keyword(s):  
Thermal Conductivity ◽  
Lattice Thermal Conductivity ◽  
Two Dimensional

We study the lattice thermal conductivity of two-dimensional (2D) pentagonal systems, such as penta-silicene and penta-germanene.

Anomalous in-plane lattice thermal conductivity in an atomically thin two-dimensional α-GeTe layer

2020 ◽  
Vol 22 (21) ◽  
pp. 12273-12280 ◽  
Author(s):  
Brahim Marfoua ◽  
Young Soo Lim ◽  
Jisang Hong
Keyword(s):  
Thermal Conductivity ◽  
Lattice Thermal Conductivity ◽  
2D Materials ◽  
Two Dimensional ◽  
Plane Lattice

The bilayer α-GeTe displayed an exceptionally low lattice thermal conductivity never reported in the atomically thin 2D materials.

Theoretical Thermal Conductivity of Periodic Two-Dimensional Nanocomposites

2003 ◽  
Vol 793 ◽  
Author(s):  
Ronggui Yang ◽  
Gang Chen
Keyword(s):  
Thermal Conductivity ◽  
Lattice Thermal Conductivity ◽  
High Efficiency ◽  
Transport Model ◽  
Cell Interaction ◽  
Phonon Transport ◽  
Two Dimensional ◽  
Boltzmann Transport ◽  
Volumetric Fraction ◽  
Strong Function

ABSTRACTA phonon Boltzmann transport model is established to study the lattice thermal conductivity of nanocomposites with nanowires embedded in a host semiconductor material. Special attention has been paid to cell-cell interaction using periodic boundary conditions. The simulation shows that the temperature profiles in nanocomposites are very different from those in conventional composites, due to ballistic phonon transport at nanoscale. The thermal conductivity of periodic 2-D nanocomposites is a strong function of the size of the embedded wires and the volumetric fraction of the constituent materials. At constant volumetric fraction the smaller the wire diameter, the smaller is the thermal conductivity of periodic two-dimensional nanocomposites. For fixed silicon wire dimension, the lower the atomic percentage of germanium, the lower the thermal conductivity of the nanocomposites. The results of this study can be used to direct the development of high efficiency thermoelectric materials.

scholarly journals Lattice thermal transport in two-dimensional alloys and fractal heterostructures

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Aravind Krishnamoorthy ◽  
Nitish Baradwaj ◽  
Aiichiro Nakano ◽  
Rajiv K. Kalia ◽  
Priya Vashishta
Keyword(s):  
Thermal Conductivity ◽  
Thermal Transport ◽  
Lattice Thermal Conductivity ◽  
Material Design ◽  
Two Dimensional ◽  
Scale Free ◽  
Dopant Atoms ◽  
Non Equilibrium Molecular Dynamics ◽  
Dynamics Simulations ◽  
The Impact

AbstractEngineering thermal transport in two dimensional materials, alloys and heterostructures is critical for the design of next-generation flexible optoelectronic and energy harvesting devices. Direct experimental characterization of lattice thermal conductivity in these ultra-thin systems is challenging and the impact of dopant atoms and hetero-phase interfaces, introduced unintentionally during synthesis or as part of deliberate material design, on thermal transport properties is not understood. Here, we use non-equilibrium molecular dynamics simulations to calculate lattice thermal conductivity of $${\mathrm {(Mo|W)Se_2}}$$ ( Mo | W ) Se 2 monolayer crystals including $${\mathrm {Mo}}_{1-x}{\mathrm {W}}_x{\mathrm {Se_2}}$$ Mo 1 - x W x Se 2 alloys with substitutional point defects, periodic $${\mathrm {MoSe_2}|\mathrm {WSe_2}}$$ MoSe 2 | WSe 2 heterostructures with characteristic length scales and scale-free fractal $${\mathrm {MoSe_2}}|{\mathrm {WSe_2}}$$ MoSe 2 | WSe 2 heterostructures. Each of these features has a distinct effect on phonon propagation in the crystal, which can be used to design fractal and periodic alloy structures with highly tunable thermal conductivities. This control over lattice thermal conductivity will enable applications ranging from thermal barriers to thermoelectrics.

scholarly journals Tinselenidene: a Two-dimensional Auxetic Material with Ultralow Lattice Thermal Conductivity and Ultrahigh Hole Mobility

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
Li-Chuan Zhang ◽  
Guangzhao Qin ◽  
Wu-Zhang Fang ◽  
Hui-Juan Cui ◽  
Qing-Rong Zheng ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Lattice Thermal Conductivity ◽  
Hole Mobility ◽  
Two Dimensional

Two-dimensional MoS2-MoSe2 lateral superlattice with minimized lattice thermal conductivity

2018 ◽  
Vol 124 (16) ◽  
pp. 165101 ◽  
Author(s):  
Guangqian Ding ◽  
Junjie He ◽  
G. Y. Gao ◽  
Kailun Yao
Keyword(s):  
Thermal Conductivity ◽  
Lattice Thermal Conductivity ◽  
Two Dimensional

Potential thermoelectric materials: first-principles prediction of low lattice thermal conductivity of two-dimensional (2D) orthogonal ScX2 (X = C and N) compounds

2021 ◽  
Author(s):  
Shipeng Bi ◽  
Zhehao Sun ◽  
Kunpeng Yuan ◽  
Zheng Chang ◽  
Xiaoliang Zhang ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Materials ◽  
First Principles ◽  
Lattice Thermal Conductivity ◽  
Single Layer ◽  
Two Dimensional ◽  
C And N ◽  
N Compounds

Single-layer o-ScC2 and o-ScN2 express extremely low lattice TCs, and o-ScN2 expresses lower TC comparing with o-ScC2 in the Y direction. Both of the two materials show significant anisotropy.

Stretchable and dynamically stable promising two-dimensional thermoelectric materials: ScP and ScAs

2019 ◽  
Vol 7 (20) ◽  
pp. 12604-12615 ◽  
Author(s):  
Kulwinder Kaur ◽  
Devaraj Murali ◽  
B. R. K. Nanda
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Materials ◽  
Lattice Thermal Conductivity ◽  
Two Dimensional

We present two newly designed 2D thermoelectric materials ScP and ScAs, which are stretchable up to 14%, stable up to 700 K, and can have lattice thermal conductivity as low as 0.45 W m−1 K−1.

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