Study of Indium Non-stoichiometry in CuInTe2 and Its Effects on the Thermoelectric Properties

Janíček, Petr; Kucek, V.; Kašparová, J.; Plechäček, T.; Černošková, E.; Beneš, Ludvı́k; Munzar, M.; Drašar, Č.

doi:10.1007/s11664-019-06993-2

Cited by 7 publications

(3 citation statements)

References 14 publications

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“…CuInTe 2 is one of the chalcopyrite compounds with a promising TE performance among the reported big family of I-III-VI 2 (I = Cu and Ag; III = Al, Ga, and In; VI = S, Se, and Te) semiconductors. , A pristine CuInTe 2 compound usually exhibits a high power factor and low thermal conductivity above 600 K . However, compared with other ternary chalcopyrite compounds, the relatively lower electrical conductivity and higher thermal conductivity below 500 K (especially near the room temperature) of p-type CuInTe 2 need to be further optimized. , In the past few years, a great enhancement of zT in CuInTe 2 -based materials has been reported by introducing a Cu/In vacancy, − or alloying with other elements (such as S, Mn, , Ag, , and Cd) or compounds (such as ZnTe), − or different synthesis methods . Majority of these reports have been focused on optimizing the carrier concentration or reducing the lattice thermal conductivity, while minority literature reports have discussed the structural changes caused by the different strategies.…”

Section: Introductionmentioning

confidence: 99%

Tetrahedral Distortion and Thermoelectric Performance of the Ag-Substituted CuInTe₂ Chalcopyrite Compound

Wang

Xue

et al. 2020

ACS Appl. Energy Mater.

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It is known that the electronic transport and heat conduction of thermoelectric materials are very sensitive to structural changes. In this article, the effect of Ag substitution on the crystal structure and hence thermoelectric properties of Cu 1−x Ag x InTe 2 (x = 0, 0.05, 0.15, 0.25, 0.50, 0.75, and 1.00) solid solutions are investigated. The structural analysis shows that with the increasing Ag content, the lattice strain changes from tensile stress to compressive stress, and the tetrahedral distortion first relieves and then aggravates, which influences not only electronic but also thermal transport properties. The replacement of Cu by Ag results in the reduction of carrier concentration and lattice thermal conductivity. Although the enhancement in zT values of Cu 1−x Ag x InTe 2 samples mainly originates from the significantly reduced lattice thermal conductivity, the improved electronic transport properties due to Ag substitution also play an important role. As a result, a maximum zT value of ∼1.36 is achieved for Cu 0.75 Ag 0.25 InTe 2 at 823 K, which is a 92% improvement compared with the value of pristine CuInTe 2 . Our study provides a primary view of the relationship between the structure and thermoelectric performance, which is beneficial to the optimization of thermoelectric properties.

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Section: Introductionmentioning

confidence: 99%

Tetrahedral Distortion and Thermoelectric Performance of the Ag-Substituted CuInTe₂ Chalcopyrite Compound

Wang

Xue

et al. 2020

ACS Appl. Energy Mater.

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“…We are focused on chalcopyrite materials due to their wide applications in Lasers, LEDs, Photovoltaic cells, non-linear optical devices, nontoxicity etc. [1][2][3][4][5][6]. By making the combinations of the first, third and the sixth group elements, we got the direct band gap semiconductor material which is the fruitful output in photovoltaics.…”

Section: Introductionmentioning

confidence: 99%

Structural, electronic and thermoelectric properties of LiAlX2 (X=S and Se) chalcopyrites: promising for thermoelectric power generators

Kumari¹,

Singh²,

Agrawal³

et al. 2023

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Herein, we have inquired the structural, electronic and thermoelectric properties of the couple of chalcopyrite structured solids LiAlX2 (X=S and Se) with the help of density functional theory (DFT), which is tracked by resolution of the Boltzmann transport equation with the constant relaxation time calculations. The LDA (Localized Density Approximation), PBE (Perdew-Burke-Ernzerhof), PBEsol (PBE functional revised for solids) and WC (Wu-Cohen) exchange correlation potentials have been used. The calculated lattice constants a = 5.271 Å; c = 10.178 Å and a = 6.226 Å; c = 12.165 Å for LiAlS2 and LiAlSe2 respectively and the band gap of the mentioned compounds are found in range from 1.74 eV to 3.13 eV. The dependency of thermoelectric parameters are calculated with different temperature (300-800K) and carrier concentration 1018 1019 cm-3 . From the study of ZT (figure of merit’s ZT= S2 σT/κ the dimensionless parameter) and it is found that it’s value for both the compounds in n-type as well as in p-type region is ‘unity’. Since these compounds can be the promising candidate for thermoelectric devices also these compounds are non-toxic, eco-friendly and good alternative for the green and renewable source of electric power generators.

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“…At present, the investigation on TE materials mainly focuses on IV–VI, − I–III–VI, − and VIII–V , compounds, in which most compounds exhibit excellent TE performance with peak zT over 1.0. However, phosphides have been ignored in most TE explorations because of potentially high lattice thermal conductivity stemmed from their light mass and strong covalent bonds .…”

Section: Introductionmentioning

confidence: 99%

Exceptional Thermoelectric Performance Enabled by High Carrier Mobility and Intrinsically Low Lattice Thermal Conductivity in Phosphide Cd₃P₂

et al. 2022

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A novel thermoelectric Cd 3 P 2 is obtained via regulating carrier concentrations. Ultrahigh carrier mobilities over 1500 cm 2 V −1 s −1 are observed at room temperature, which is attributed to small band effective mass and confirmed by the electronic structure calculation. Meanwhile, the intrinsically low lattice thermal conductivity below 1.0 W m −1 K −1 in the investigated temperature range is found due to the complex crystal structure and low sound velocity. Combined with high mobility and low thermal conductivity, a peak zT of 0.91 at 673 K and an excellent average zT of 0.57 over 300−673 K are obtained in Cd 3 P 2 -based compounds, which are record-high values among phosphides. This study highlights the potential of exploring highperformance novel thermoelectric materials in compounds with high carrier mobility.

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Study of Indium Non-stoichiometry in CuInTe2 and Its Effects on the Thermoelectric Properties

Cited by 7 publications

References 14 publications

Tetrahedral Distortion and Thermoelectric Performance of the Ag-Substituted CuInTe₂ Chalcopyrite Compound

Tetrahedral Distortion and Thermoelectric Performance of the Ag-Substituted CuInTe₂ Chalcopyrite Compound

Structural, electronic and thermoelectric properties of LiAlX2 (X=S and Se) chalcopyrites: promising for thermoelectric power generators

Exceptional Thermoelectric Performance Enabled by High Carrier Mobility and Intrinsically Low Lattice Thermal Conductivity in Phosphide Cd₃P₂

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Study of Indium Non-stoichiometry in CuInTe2 and Its Effects on the Thermoelectric Properties

Cited by 7 publications

References 14 publications

Tetrahedral Distortion and Thermoelectric Performance of the Ag-Substituted CuInTe2 Chalcopyrite Compound

Tetrahedral Distortion and Thermoelectric Performance of the Ag-Substituted CuInTe2 Chalcopyrite Compound

Structural, electronic and thermoelectric properties of LiAlX2 (X=S and Se) chalcopyrites: promising for thermoelectric power generators

Exceptional Thermoelectric Performance Enabled by High Carrier Mobility and Intrinsically Low Lattice Thermal Conductivity in Phosphide Cd3P2

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Product

Resources

About

Tetrahedral Distortion and Thermoelectric Performance of the Ag-Substituted CuInTe₂ Chalcopyrite Compound

Tetrahedral Distortion and Thermoelectric Performance of the Ag-Substituted CuInTe₂ Chalcopyrite Compound

Exceptional Thermoelectric Performance Enabled by High Carrier Mobility and Intrinsically Low Lattice Thermal Conductivity in Phosphide Cd₃P₂