scholarly journals A Material Catalogue with Glass-Like Thermal Conductivity Mediated by the Crystallographic Occupancy for Thermoelectric Application

2021 ◽  
Author(s):  
Zihang Liu ◽  
Wenhao Zhang ◽  
Weihong Gao ◽  
Takao Mori
Keyword(s):  
Thermal Conductivity ◽  
Lattice Thermal Conductivity ◽  
Thermoelectric Performance ◽  
Synthetic Approach ◽  
Thermoelectric Application

Discovering materials with the intrinsically low lattice thermal conductivity κlat is an important route for achieving high thermoelectric performance. In reality, the conventional synthetic approach, however, relies on trial and...

scholarly journals First-principles predictions of low lattice thermal conductivity and high thermoelectric performance of AZnSb (A = Rb, Cs)

RSC Advances ◽  
2021 ◽  
Vol 11 (25) ◽  
pp. 15486-15496
Author(s):  
Enamul Haque
Keyword(s):  
Thermal Conductivity ◽  
Debye Temperature ◽  
Layered Structure ◽  
First Principles ◽  
Lattice Thermal Conductivity ◽  
Phonon Scattering ◽  
Thermoelectric Performance

The layered structure, and presence of heavier elements Rb/Cs and Sb induce high anharmonicity, low Debye temperature, intense phonon scattering, and hence, low lattice thermal conductivity.

Enhanced thermoelectric performance in PbTe-based superlattice structures from reduction of lattice thermal conductivity

2005 ◽  
Vol 87 (2) ◽  
pp. 023105 ◽  
Author(s):  
J. C. Caylor ◽  
K. Coonley ◽  
J. Stuart ◽  
T. Colpitts ◽  
R. Venkatasubramanian
Keyword(s):  
Thermal Conductivity ◽  
Lattice Thermal Conductivity ◽  
Thermoelectric Performance ◽  
Superlattice Structures

scholarly journals Ultralow lattice thermal conductivity enables high thermoelectric performance in BaAg2Te2 alloys

2021 ◽  
pp. 100591
Author(s):  
Jing Tang ◽  
Cheng Qin ◽  
Hulei Yu ◽  
Zezhu Zeng ◽  
Lixun Cheng ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Lattice Thermal Conductivity ◽  
Thermoelectric Performance

A High Thermoelectric Performance ZT in p-Type LaSe2 Crystal

2021 ◽  
Vol 871 ◽  
pp. 203-207
Author(s):  
Jian Liu
Keyword(s):  
Thermal Conductivity ◽  
Power Factor ◽  
High Power ◽  
Density Functional ◽  
Lattice Thermal Conductivity ◽  
Phonon Transport ◽  
Thermoelectric Performance ◽  
Boltzmann Transport ◽  
High Power Factor ◽  
P Type

In this work, we use first principles DFT calculations, anharmonic phonon scatter theory and Boltzmann transport method, to predict a comprehensive study on the thermoelectric properties as electronic and phonon transport of layered LaSe2 crystal. The flat-and-dispersive type band structure of LaSe2 crystal offers a high power factor. In the other hand, low lattice thermal conductivity is revealed in LaSe2 semiconductor, combined with its high power factor, the LaSe2 crystal is considered a promising thermoelectric material. It is demonstrated that p-type LaSe2 could be optimized to exhibit outstanding thermoelectric performance with a maximum ZT value of 1.41 at 1100K. Explored by density functional theory calculations, the high ZT value is due to its high Seebeck coefficient S, high electrical conductivity, and low lattice thermal conductivity .

scholarly journals Silver vacancy concentration engineering leading to the ultralow lattice thermal conductivity and improved thermoelectric performance of Ag1-xInTe2

2019 ◽  
Vol 9 (1) ◽  
Author(s):  
Yaqiong Zhong ◽  
Yong Luo ◽  
Xie Li ◽  
Jiaolin Cui
Keyword(s):  
Crystal Structure ◽  
Thermal Conductivity ◽  
Electrical Conductivity ◽  
Point Defects ◽  
Lattice Thermal Conductivity ◽  
Vacancy Concentration ◽  
Antisite Defect ◽  
Thermoelectric Performance ◽  
Callaway Model

AbstractAgInTe2 compound has not received enough recognition in thermoelectrics, possibly due to the fact that the presence of Te vacancy (VTe) and antisite defect of In at Ag site (InAg) degrades its electrical conductivity. In this work, we prepared the Ag1-xInTe2 compounds with substoichiometric amounts of Ag and observed an ultralow lattice thermal conductivity (κL = 0.1 Wm−1K−1) for the sample at x = 0.15 and 814 K. This leads to more than 2-fold enhancement in the ZT value (ZT = 0.62) compared to the pristine AgInTe2. In addition, we have traced the origin of the untralow κL using the Callaway model. The results attained in this work suggest that the engineering of the silver vacancy (VAg) concentration is still an effective way to manipulate the thermoelectric performance of AgInTe2, realized by the increased point defects and modified crystal structure distortion as the VAg concentration increases.

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