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.

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.

scholarly journals The origin of the lattice thermal conductivity enhancement at the ferroelectric phase transition in GeTe

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Đorđe Dangić ◽  
Olle Hellman ◽  
Stephen Fahy ◽  
Ivana Savić
Keyword(s):  
Phase Transition ◽  
Thermal Conductivity ◽  
Phase Transitions ◽  
Thermoelectric Materials ◽  
Ferroelectric Phase Transition ◽  
Lattice Thermal Conductivity ◽  
Ferroelectric Phase ◽  
Structural Phase ◽  
High Symmetry ◽  
Structural Phase Transitions

AbstractThe proximity to structural phase transitions in IV-VI thermoelectric materials is one of the main reasons for their large phonon anharmonicity and intrinsically low lattice thermal conductivity κ. However, the κ of GeTe increases at the ferroelectric phase transition near 700 K. Using first-principles calculations with the temperature dependent effective potential method, we show that this rise in κ is the consequence of negative thermal expansion in the rhombohedral phase and increase in the phonon lifetimes in the high-symmetry phase. Strong anharmonicity near the phase transition induces non-Lorentzian shapes of the phonon power spectra. To account for these effects, we implement a method of calculating κ based on the Green-Kubo approach and find that the Boltzmann transport equation underestimates κ near the phase transition. Our findings elucidate the influence of structural phase transitions on κ and provide guidance for design of better thermoelectric materials.

Investigation of Thermoelectric Materials: Substitution effect of Bi on the Ag1-xPb18MTe20 (M = Sb, Bi) (x = 0, 0.14, 0.3)

2007 ◽  
Vol 1044 ◽  
Author(s):  
Mi-kyung Han ◽  
Huijun Kong ◽  
Ctirad Uher ◽  
Mercouri G Kanatzidis
Keyword(s):  
Thermal Conductivity ◽  
Electrical Conductivity ◽  
Seebeck Coefficient ◽  
Thermoelectric Materials ◽  
Figure Of Merit ◽  
Lattice Thermal Conductivity ◽  
Substitution Effect ◽  
Dimensionless Figure Of Merit ◽  
The Matrix ◽  
Mass Fluctuation

AbstractWe performed comparative investigations of the Ag1-xPb18MTe20 (M = Bi, Sb) (x = 0, 0.14, 0.3) system to better understand the roles of Sb and Bi on the thermoelectric properties. In both systems, the electrical conductivity nearly keeps the same values, while the Seebeck coefficient decreases dramatically in going from Sb to Bi. Compared to the lattice thermal conductivity of PbTe, that of AgPb18BiTe20 is substantially reduced. The lattice thermal conductivity of the Bi analog, however, is higher than that of AgPb18SbTe20 and this is attributed largely to the decrease in the degree of mass fluctuation between the nanostructures and the matrix (for the Bi analog). As a result the dimensionless figure of merit ZT of Ag1-xPb18MTe20 (M = Bi) is found to be smaller than that of Ag1-xPb18MTe20 (M = Sb).

Intrinsically Low Lattice Thermal Conductivity in Natural Superlattice (Bi2)m(Bi2Te3)n Thermoelectric Materials

2021 ◽  
Vol 33 (4) ◽  
pp. 1140-1148
Author(s):  
Hao Zhu ◽  
Chenchen Zhao ◽  
Pengfei Nan ◽  
Xiao-ming Jiang ◽  
Jiyin Zhao ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Materials ◽  
Lattice Thermal Conductivity ◽  
Natural Superlattice

Metal phosphide CuP2 as a promising thermoelectric material: an insight from first-principles study

2021 ◽  
Author(s):  
Un-Gi Jong ◽  
Chol-Hyok Ri ◽  
Chol-Jin Pak ◽  
Chol-Hyok Kim ◽  
Stefaan Cottenier ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Material ◽  
Thermoelectric Materials ◽  
First Principles ◽  
Lattice Thermal Conductivity ◽  
Metal Phosphide ◽  
First Principles Study ◽  
Metal Phosphides ◽  
Large Lattice

In the search for better thermoelectric materials, metal phosphides have not been considered to be viable candidates so far, due to their large lattice thermal conductivity. Here we study thermoelectric...

scholarly journals Lattice Thermal Conductivity in Thermoelectric Materials

2019 ◽  
Vol 34 (3) ◽  
pp. 260 ◽  
Author(s):  
SHEN Jia-Jun ◽  
FANG Teng ◽  
FU Tie-Zheng ◽  
XIN Jia-Zhan ◽  
ZHAO Xin-Bing ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Materials ◽  
Lattice Thermal Conductivity

scholarly journals Development of novel thermoelectric materials by reduction of lattice thermal conductivity

2010 ◽  
Vol 11 (4) ◽  
pp. 044306 ◽  
Author(s):  
Chunlei Wan ◽  
Yifeng Wang ◽  
Ning Wang ◽  
Wataru Norimatsu ◽  
Michiko Kusunoki ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Materials ◽  
Lattice Thermal Conductivity

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

2019 ◽  
Vol 64 (14) ◽  
pp. 1024-1030 ◽  
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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