p-Type skutterudites RxMyFe3CoSb12 (R, M = Ba, Ce, Nd, and Yb): Effectiveness of double-filling for the lattice thermal conductivity reduction

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 .

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Approaching the minimum lattice thermal conductivity of p-type SnTe thermoelectric materials by Sb and Mg alloying

Science Bulletin ◽

10.1016/j.scib.2019.06.007 ◽

2019 ◽

Vol 64 (14) ◽

pp. 1024-1030 ◽

Cited By ~ 10

Author(s):

Tiezheng Fu ◽

Jiazhan Xin ◽

Tiejun Zhu ◽

Jiajun Shen ◽

Teng Fang ◽

...

Keyword(s):

Thermal Conductivity ◽

Thermoelectric Materials ◽

Lattice Thermal Conductivity ◽

P Type

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The Influence of RuO2 Addition on the Thermoelectric Properties of BiSbTe Alloys

Key Engineering Materials ◽

10.4028/www.scientific.net/kem.512-515.1651 ◽

2012 ◽

Vol 512-515 ◽

pp. 1651-1654 ◽

Cited By ~ 1

Author(s):

Yu Kun Xiao ◽

Zhi Xiang Li ◽

Jun Jiang ◽

Sheng Hui Yang ◽

Ting Zhang ◽

...

Keyword(s):

Thermal Conductivity ◽

Thermoelectric Properties ◽

Lattice Thermal Conductivity ◽

Combined Process ◽

Plasma Sintering ◽

The Matrix ◽

Spark Plasma ◽

Xrd Patterns ◽

Factor Α ◽

P Type

P-type BiSbTe/RuO2 composite was fabricated using a combined process of melting and spark plasma sintering. The XRD patterns showed that RuO2 reacted with the matrix for the RuO2 content of 1.0 wt% and 4.0 wt% samples. The measured thermoelectric properties showed that the highest electrical conductivity was obtained for the sample with 2.0 wt% RuO2. The power factor (α2σ/κ) decreased with the increase of RuO2 below 450 K. The lattice thermal conductivity was lower than that of BiSbTe over the whole temperature range for BiSbTe/2.0 wt% RuO2.

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Thermal Conductivity of Zn4−xCdxSb3 Solid Solutions

MRS Proceedings ◽

10.1557/proc-478-103 ◽

1997 ◽

Vol 478 ◽

Cited By ~ 20

Author(s):

T. Caillat ◽

A. Borshchevsky ◽

J. -P. Fleurial

Keyword(s):

Thermal Conductivity ◽

High Performance ◽

Figure Of Merit ◽

Lattice Thermal Conductivity ◽

State Of The Art ◽

Thermoelectric Figure Of Merit ◽

Thermoelectric Figure ◽

Jet Propulsion ◽

P Type ◽

Electrical Conductors

Abstractβ-Zn4Sb3 was recently identified at the Jet Propulsion Laboratory as a new high performance p-type thermoelectric material with a maximum dimensionless thermoelectric figure of merit ZT of 1.4 at a temperature of 673K. A usual approach, used for many state-of-the-art thermoelectric materials, to further improve ZT values is to alloy β-Zn4Sb3 with isostructural compounds because of the expected decrease in lattice thermal conductivity. We have grown Zn4−xCdxSb3 crystals with 0.2≤x<1.2 and measured their thermal conductivity from 10 to 500K. The thermal conductivity values of Zn4−xCdxSb3 alloys are significantly lower than those measured for β-Zn4Sb3 and are comparable to its calculated minimum thermal conductivity. A strong atomic disorder is believed to be primarily at the origin of the very low thermal conductivity of these materials which are also fairly good electrical conductors and are therefore excellent candidates for thermoelectric applications.

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Low lattice thermal conductivity and high figure of merit in p-type doped K3IO

Chinese Physics B ◽

10.1088/1674-1056/abab83 ◽

2020 ◽

Vol 29 (12) ◽

pp. 126501

Author(s):

Weiqiang Wang ◽

Zhenhong Dai ◽

Qi Zhong ◽

Yinchang Zhao ◽

Sheng Meng

Keyword(s):

Thermal Conductivity ◽

Figure Of Merit ◽

Lattice Thermal Conductivity ◽

High Figure ◽

P Type

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THERMOELECTRIC PROPERTIES OF p-TYPE SKUTTERUDITES (Pr0.25Nd0.75)xFe3CoSb12 BY LEVITATION MELTING AND SPARK PLASMA SINTERING

Functional Materials Letters ◽

10.1142/s1793604713400067 ◽

2013 ◽

Vol 06 (05) ◽

pp. 1340006 ◽

Cited By ~ 2

Author(s):

JINGSHU XU ◽

CHENGUANG FU ◽

JIAN XIE ◽

XINBING ZHAO ◽

TIEJUN ZHU

Keyword(s):

Thermal Conductivity ◽

Electrical Conductivity ◽

Seebeck Coefficient ◽

Spark Plasma Sintering ◽

Thermoelectric Properties ◽

Lattice Thermal Conductivity ◽

Levitation Melting ◽

Plasma Sintering ◽

Spark Plasma ◽

P Type

The p-type skutterudite compounds of ( Pr 0.25 Nd 0.75)x Fe 3 CoSb 12 (x = 0.67–0.78) have been successfully synthesized by levitation melting followed by annealing and spark plasma sintering. The thermoelectric properties have been characterized by the measurements of Seebeck coefficient, electrical conductivity and thermal conductivity in the temperature range from 300 K to 850 K. The improvement in the thermoelectric properties was realized due to the reduction in the lattice thermal conductivity when the voids were partially filled by Pr 0.25 Nd 0.75. The maximum ZT value of ~ 0.83 for ( Pr 0.25 Nd 0.75)0.76 Fe 3 CoSb 12 was obtained at 700 K.

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Effect of Substitutional Pb Doping on Bipolar and Lattice Thermal Conductivity in p-Type Bi0.48Sb1.52Te3

Materials ◽

10.3390/ma10070763 ◽

2017 ◽

Vol 10 (7) ◽

pp. 763 ◽

Cited By ~ 13

Author(s):

Hyun-sik Kim ◽

Kyu Hyoung Lee ◽

Joonyeon Yoo ◽

Jehun Youn ◽

Jong Wook Roh ◽

...

Keyword(s):

Thermal Conductivity ◽

Lattice Thermal Conductivity ◽

P Type ◽

Pb Doping

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Synergetic Enhancement of the Power Factor and Suppression of Lattice Thermal Conductivity via Electronic Structure Modification and Nanostructuring on a Ni- and B-Codoped p-Type Si–Ge Alloy for Thermoelectric Application

ACS Applied Electronic Materials ◽

10.1021/acsaelm.1c01075 ◽

2021 ◽

Author(s):

Omprakash Muthusamy ◽

Saurabh Singh ◽

Keisuke Hirata ◽

Kentaro Kuga ◽

Santhana Krishnan Harish ◽

...

Keyword(s):

Thermal Conductivity ◽

Electronic Structure ◽

Power Factor ◽

Lattice Thermal Conductivity ◽

Structure Modification ◽

P Type ◽

Thermoelectric Application

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Influence of Cu Doping on Bipolar Conduction Suppression for p-type Bi0.5Sb1.5Te3 and Bi0.4Sb1.6Te3 Alloys

Korean Journal of Metals and Materials ◽

10.3365/kjmm.2020.58.6.439 ◽

2020 ◽

Vol 58 (6) ◽

pp. 439-445

Author(s):

Hyun-Jun Cho ◽

Hyun-Sik Kim ◽

Woong-hee Sohn ◽

Sang-il Kim

Keyword(s):

Thermal Conductivity ◽

Thermal Transport ◽

Lattice Thermal Conductivity ◽

Hole Concentration ◽

Band Model ◽

Cu Doping ◽

Conduction Bands ◽

P Type ◽

Bipolar Conduction ◽

Additional Point

In this study, we report how Cu doping can modify the thermoelectric performance of p-type Bi0.5Sb1.5Te3 and Bi0.4Sb1.6Te3 thermoelectric alloys, including their electronic and thermal transport properties. For electronic transport, the power factors of both Bi0.5Sb1.5Te3 and Bi0.4Sb1.6Te3 compositions were increased by Cu doping. The origins of the enhanced power factors were examined using a single parabolic band model, by estimating the changes in deformation potential, effective mass, nondegenerate mobility and weighted mobility in both valence and conduction bands. The weighted mobility of the valence band was increased by Cu doping and increased Sb ratio, while the weighted mobility of the conduction band decreased, suggesting bipolar conduction was greatly reduced. For thermal transport, Cu0.0075Bi0.4Sb1.6Te3 and Bi0.4Sb1.6Te3 had a lower lattice thermal conductivity than Cu0.0075Bi0.5Sb1.5Te3 and Bi0.5Sb1.5Te3, respectively, due to an increase in Umklapp scattering. In addition, Cu doping suppressed bipolar thermal conductivity at high temperatures, by increasing hole concentration. It was also confirmed that Cu-doped samples had a lower lattice thermal conductivity than undoped samples due to additional point defect scattering. As a result, the thermoelectric figure of merit (zT) was greatly enhanced by 0.0075 mol of Cu doping, from 0.80 to 1.11 in Bi0.5Sb1.5Te3, while the zT is increased from 1.0 to 1.05 for Bi0.4Sb1.6Te3.

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