Manipulation of the crystal structure defects: An alternative route to the reduction in lattice thermal conductivity and improvement in thermoelectric performance of CuGaTe2

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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Thermoelectric performance of Cu1−x−δAgxInTe2 diamond-like materials with a pseudocubic crystal structure

Inorganic Chemistry Frontiers ◽

10.1039/c6qi00162a ◽

2016 ◽

Vol 3 (9) ◽

pp. 1167-1177 ◽

Cited By ~ 27

Author(s):

Ruiheng Liu ◽

Yuting Qin ◽

Nian Cheng ◽

Jiawei Zhang ◽

Xun Shi ◽

...

Keyword(s):

Crystal Structure ◽

Thermal Conductivity ◽

Solid Solution ◽

Electrical Transport ◽

Lattice Thermal Conductivity ◽

Thermoelectric Performance ◽

Valence Bands

In a tetragonal chalcopyrite solid solution Cu1−xAgxInTe2 (x = 0–0.5), a pseudocubic structure is realized at x ≈ 0.2. The degenerate valence bands influence electrical transport and lattice thermal conductivity. The highest ZT of 1.24 was obtained at x = 0.2 and δ = 0.05.

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Low lattice thermal conductivity and enhanced thermoelectric performance of SnTe via chemical electroless plating of Ag

Rare Metals ◽

10.1007/s12598-021-01805-1 ◽

2021 ◽

Author(s):

Bang-Zhou Tian ◽

Xu-Ping Jiang ◽

Jie Chen ◽

Han Gao ◽

Ze-Gao Wang ◽

...

Keyword(s):

Thermal Conductivity ◽

Electroless Plating ◽

Lattice Thermal Conductivity ◽

Thermoelectric Performance

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

Energy & Environmental Science ◽

10.1039/d1ee00738f ◽

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...

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

RSC Advances ◽

10.1039/d1ra01938d ◽

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.

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