scholarly journals Thermoelectric properties of DO3 V3Al using first principles calculations

RSC Advances ◽  
2017 ◽  
Vol 7 (71) ◽  
pp. 44647-44654 ◽  
Author(s):  
Xiaorui Chen ◽  
Yuhong Huang ◽  
Hong Chen
Keyword(s):  
Thermoelectric Properties ◽  
First Principles ◽  
Figure Of Merit ◽  
Thermoelectric Figure Of Merit ◽  
First Principles Calculations ◽  
Thermoelectric Figure ◽  
P Type

The calculated thermoelectric figure of merit ZT as a function of temperature for n-type antiferromagnetic DO3 V3Al and p-type antiferromagnetic DO3 V3Al is investigated.

scholarly journals First-principles study of thermoelectric properties of Mg2Si–Mg2Pb semiconductor materials

RSC Advances ◽  
2018 ◽  
Vol 8 (31) ◽  
pp. 17168-17175 ◽  
Author(s):  
Tao Fan ◽  
Congwei Xie ◽  
Shiyao Wang ◽  
Artem R. Oganov ◽  
Laifei Cheng
Keyword(s):  
Thermoelectric Properties ◽  
Solid Solutions ◽  
First Principles ◽  
Figure Of Merit ◽  
Semiconductor Materials ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure ◽  
First Principles Study

Thermoelectric figure of merit of Mg2Si1−xPbx solid solutions as a function of temperature.

scholarly journals First-principles prediction of structural stability and thermoelectric properties of SrGaSnH

RSC Advances ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 3304-3314
Author(s):  
Enamul Haque ◽  
Mizanur Rahaman
Keyword(s):  
Thermal Conductivity ◽  
Structural Stability ◽  
Thermoelectric Properties ◽  
First Principles ◽  
Figure Of Merit ◽  
Lattice Thermal Conductivity ◽  
Phonon Scattering ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure

Weak anharmonicity: the weak anharmonicity leads to weak phonon scattering in SrGaSnH. Thus, SrGaSnH intrinsically possesses a high lattice thermal conductivity (kl).. Such large κl dramatically reduces the thermoelectric figure of merit.

Optimization of High Thermoelectric Figure-of-Merit in p-type Ag1-x(Pb1-ySny)mSb1-zTem+2

2007 ◽  
Vol 1044 ◽  
Author(s):  
Kyunghan Ahn ◽  
Mercouri G Kanatzidis
Keyword(s):  
High Temperature ◽  
Thermoelectric Properties ◽  
High Performance ◽  
Figure Of Merit ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure ◽  
Practical Applications ◽  
P Type

AbstractThe Ag1-x(Pb1-ySny)mSb1-zTem+2 compounds have been found to exhibit high performance p-type thermoelectric properties and are now being considered for practical applications. In this paper, various m values and silver concentrations were investigated to determine the effect on thermoelectric properties. Also, the charge-compensated compounds were studied in order to eliminate the problem of excess tellurium evaporation at high temperature.

scholarly journals First-principles study of strain effect on the thermoelectric properties of LaP and LaAs

2021 ◽  
Author(s):  
Chia-Min Lin ◽  
Wei-Chih Chen ◽  
Cheng-Chien Chen
Keyword(s):  
High Temperature ◽  
Thermoelectric Properties ◽  
First Principles ◽  
Figure Of Merit ◽  
Strain Effect ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure ◽  
First Principles Study ◽  
Quantum Materials

The thermoelectric figure of merit ZT value of quantum materials lanthanum monopnictides can be boosted to ZT > 2 by isotropic strain at high temperature.

High Thermoelectric Performance of p-Type Bi0.5Sb1.5Te3+xTe Crystals Prepared via Gradient Freezing

2012 ◽  
Vol 621 ◽  
pp. 167-171
Author(s):  
Tao Hua Liang ◽  
Shi Qing Yang ◽  
Zhi Chen ◽  
Qing Xue Yang
Keyword(s):  
Thermal Conductivity ◽  
Seebeck Coefficient ◽  
Carrier Concentration ◽  
Thermoelectric Properties ◽  
Figure Of Merit ◽  
Room Temperature ◽  
Thermoelectric Performance ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure ◽  
P Type

p-type Bi0.5Sb1.5Te3+xTe thermoelectric crystals with various percentages of Te (x = 0.00 wt.%–3.00 wt.%) excess were prepared by the gradient freeze method. By doping with different Te contents, anti-site defects, Te vacancies and hole carrier concentrations were controlled. The Seebeck coefficient, resistivity, thermal conductivity, carrier concentration, and mobility were measured. The relationships between the Te content and thermoelectric properties were investigated in detail. The results suggested that the thermoelectric figure of merit ZT of the Bi0.5Sb1.5Te3+0.09wt.% crystals was 1.36 near room temperature, the optimum carrier concentration was 1.25 × 1019 cm-3, and the mobility was 1480 cm2 V-1 S-1, respectively.

Thermoelectric Properties of Ni Doped P-Type BiCuSeO Oxyselenides

2014 ◽  
Vol 602-603 ◽  
pp. 906-909 ◽  
Author(s):  
Yao Chun Liu ◽  
Jun Fu Liu ◽  
Bo Ping Zhang ◽  
Yuan Hua Lin
Keyword(s):  
Thermal Conductivity ◽  
Electrical Conductivity ◽  
Seebeck Coefficient ◽  
Thermoelectric Properties ◽  
Figure Of Merit ◽  
Layer Structure ◽  
Thermoelectric Figure Of Merit ◽  
Ni Doping ◽  
Thermoelectric Figure ◽  
P Type

We report on the effect of Ni doping on the thermoelectric properties of p-type BiCuSeO oxyselenide, with layer structure composed of conductive (Cu2Se2)2-layers alternately stacked with insulating (Bi2O2)2+layers along c axis. After doping with Ni, enhanced electrical conductivity coupled with a moderate Seebeck coefficient leads to a power factor of ~231 μwm-1K-2at 873 K. Coupled to low thermal conductivity, ZT at 873 K is increased from 0.35 for pristine BiCuSeO to 0.39 for Bi0.95Ni0.05CuSeO. However, the efficiency of Ni doping in the insulating (Bi2O2)2+layer is low, and this doping only leads to a limited increase of the hole carriers concentration. Therefore Ni doped BiCuSeO has relatively low electrical conductivity which makes its thermoelectric figure of merit much lower than that of Ca, Sr, Ba and Pb doped BiCuSeO.

Influence of multi-sintering on the thermoelectric properties of Bi2Sr2Co2Oy ceramics

2019 ◽  
Vol 34 (02) ◽  
pp. 2050019 ◽  
Author(s):  
Y. Zhang ◽  
M. M. Fan ◽  
C. C. Ruan ◽  
Y. W. Zhang ◽  
X.-J. Li ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Properties ◽  
Figure Of Merit ◽  
Phonon Scattering ◽  
Sintered Sample ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure ◽  
The Third ◽  
Ceramic Samples ◽  
Optimum Formula

[Formula: see text] ceramic samples have a structure similar to phonon glass electronic crystals, and their thermoelectric properties can be effectively adjusted through repeated grinding and sintering. The results show that multi-sintering can make their grain refined and increase their grain boundary, which will effectively increase density and phonon scattering. Finally, multi-sintering can reduce the resistivity and thermal conductivity, thus obviously improve thermoelectric figure of merit [Formula: see text] of [Formula: see text]. The optimum [Formula: see text] value of 0.26 is achieved at 923 K by the third sintered sample.

Effects of Ce filling fraction and Fe content on the thermoelectric properties of Co-rich CeyFexCo4−xSb12

2001 ◽  
Vol 16 (3) ◽  
pp. 837-843 ◽  
Author(s):  
Xinfeng Tang ◽  
Lidong Chen ◽  
Takashi Goto ◽  
Toshio Hirai
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Properties ◽  
Figure Of Merit ◽  
Single Phase ◽  
Lattice Thermal Conductivity ◽  
Hole Concentration ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure ◽  
Filling Fraction ◽  
Fe Content

Single-phase filled skutterudite compounds, CeyFexCo4−xSb12 (x = 0 to 3.0, y = 0 to 0.74), were synthesized by a melting method. The effects of Fe content and Ce filling fraction on the thermoelectric properties of CeyFexCo4−xSb12 were investigated. The lattice thermal conductivity of Ce-saturated CeyFexCo4−xSb12, y being at the maximum corresponding to x, decreased with increasing Fe content (x) and reached its minimum at about x = 1.5. When x was 1.5, lattice thermal conductivity decreased with increasing Ce filling fraction till y = 0.3 and then began to increase after reaching the minimum at y = 0.3. Hole concentration and electrical conductivity of Cey Fe1.5Co2.5Sb12 decreased with increasing Ce filling fraction. The Seebeck coefficient increased with increasing Ce filling fraction. The greatest dimensionless thermoelectric figure of merit T value of 1.1 was obtained at 750 K for the composition of Ce0.28Fe1.52Co2.48Sb12.

High-Thermoelectric Figure of Merit Realized in p-Type Half-Heusler Compounds: ZrCoSnxSb1-x

2007 ◽  
Vol 46 (No. 27) ◽  
pp. L673-L675 ◽  
Author(s):  
Takeyuki Sekimoto ◽  
Ken Kurosaki ◽  
Hiroaki Muta ◽  
Shinsuke Yamanaka
Keyword(s):  
Figure Of Merit ◽  
Thermoelectric Figure Of Merit ◽  
Heusler Compounds ◽  
Thermoelectric Figure ◽  
P Type
Sign in / Sign up

Export Citation Format

Share Document