Ensemble-machine-learning-based correlation analysis of internal and band characteristics of thermoelectric materials

2020 ◽  
Vol 8 (37) ◽  
pp. 13079-13089
Author(s):  
Lihao Chen ◽  
Ben Xu ◽  
Jia Chen ◽  
Ke Bi ◽  
Changjiao Li ◽  
...  
Keyword(s):  
Machine Learning ◽  
Electrical Conductivity ◽  
Correlation Analysis ◽  
Seebeck Coefficient ◽  
Thermoelectric Properties ◽  
Thermoelectric Materials ◽  
Ensemble Machine Learning ◽  
Properties Of Materials

Machine learning can significantly help to predict the thermoelectric properties of materials, such as the Seebeck coefficient and electrical conductivity.

scholarly journals Correction: Ensemble-machine-learning-based correlation analysis of internal and band characteristics of thermoelectric materials

2020 ◽  
Vol 8 (37) ◽  
pp. 13091-13091
Author(s):  
Lihao Chen ◽  
Ben Xu ◽  
Jia Chen ◽  
Ke Bi ◽  
Changjiao Li ◽  
...  
Keyword(s):  
Machine Learning ◽  
Correlation Analysis ◽  
Thermoelectric Materials ◽  
Ensemble Machine Learning

Correction for ‘Ensemble-machine-learning-based correlation analysis of internal and band characteristics of thermoelectric materials’ by Lihao Chen et al., J. Mater. Chem. C, 2020, DOI: 10.1039/d0tc02855j.

Thermoelectric properties of polycrystalline Bi2Se3−x by powder compaction sintering

2020 ◽  
Vol 34 (18) ◽  
pp. 2050206
Author(s):  
Ying Zhou ◽  
Zhenhua Ge ◽  
Jun Guo ◽  
Jing Feng
Keyword(s):  
Electrical Conductivity ◽  
Seebeck Coefficient ◽  
Carrier Concentration ◽  
Thermoelectric Properties ◽  
Thermoelectric Materials ◽  
Electrical Transport ◽  
Bulk Material ◽  
Powder Compaction ◽  
Electrical Transport Properties ◽  
X Ray

[Formula: see text] is a [Formula: see text] compound (where Pn = Bi and Sb, Ch = Te, Se, and S), which has attracted increasing attention as a candidate for use in thermoelectric applications. Previous studies demonstrated the advantage of [Formula: see text] thermoelectric materials, despite an inferior thermoelectric performance. Herein, a series of [Formula: see text] ([Formula: see text], 0.10, 0.15, 0.20, and 0.25) thermoelectric materials were prepared by powder compaction sintering. The effects of phase structures and microstructure of the [Formula: see text] bulk material were analyzed by X-ray diffraction, scanning electron microscopy, and energy-dispersive X-ray spectroscopy. The thermoelectric properties, including Seebeck coefficient, electrical conductivity, and thermal conductivity, were measured systematically. The results show that carrier concentration increased with decreasing Se content, which in turn affected the electrical transport properties. Low Se contents gave larger power factor (PF) values than the pristine [Formula: see text] sample, the maximum PF value being [Formula: see text] at 320 K for [Formula: see text]. The variation in PF was attributed to the variations in electrical conductivity [Formula: see text] and Seebeck coefficient [Formula: see text] upon optimizing Se content. The [Formula: see text] samples showed an enhanced thermoelectric figure of merit (ZT) with increasing measurement temperature, due to the increased [Formula: see text] value, [Formula: see text], and decreased [Formula: see text]. The [Formula: see text] sample exhibited the highest ZT (0.28) at 575 K, while [Formula: see text] exhibited the lowest ZT (0.14) at 325 K. This indicated that tuning Se content was an effective way to enhance carrier concentration.

scholarly journals Electronic and Thermoelectric Properties of V2O5, MgV2O5, and CaV2O5

Coatings ◽  
2020 ◽  
Vol 10 (5) ◽  
pp. 453 ◽  
Author(s):  
Xiaofei Sheng ◽  
Zhuhong Li ◽  
Yajuan Cheng
Keyword(s):  
Electrical Conductivity ◽  
Seebeck Coefficient ◽  
Thermoelectric Properties ◽  
Thermoelectric Materials ◽  
High Performance ◽  
Van Der Waals ◽  
Thermoelectric Performance ◽  
Extreme Condition ◽  
Electronic Band ◽  
Classical Transport

Developing new thermoelectric materials with high performance can broaden the thermoelectric family and is the key to fulfill extreme condition applications. In this work, we proposed two new high-temperature thermoelectric materials—MgV2O5 and CaV2O5—which are derived from the interface engineered V2O5. The electronic and thermoelectric properties of V2O5, MgV2O5, and CaV2O5 were calculated based on first principles and Boltzmann semi-classical transport equations. It was found that although V2O5 possessed a large Seebeck coefficient, its large band gap strongly limited the electrical conductivity, hence hindering it from being good thermoelectric material. With the intercalation of Mg and Ca atoms into the van der Waals interfaces of V2O5, i.e., forming MgV2O5 and CaV2O5, the electronic band gaps could be dramatically reduced down to below 0.1 eV, which is beneficial for electrical conductivity. In MgV2O5 and CaV2O5, the Seebeck coefficient was not largely affected compared to V2O5. Consequently, the thermoelectric figure of merit was expected to be improved noticeably. Moreover, the intercalation of Mg and Ca atoms into the V2O5 van der Waals interfaces enhanced the anisotropic transport and thus provided a possible way for further engineering of their thermoelectric performance by nanostructuring. Our work provided theoretical guidelines for the improvement of thermoelectric performance in layered oxide materials.

Na-Site Doping of NaCo2O4 Thermoelectric Materials

2007 ◽  
Vol 336-338 ◽  
pp. 802-804 ◽  
Author(s):  
Ying Li ◽  
Li Hua Zhang ◽  
Shu Lan Wang ◽  
Gui Ying Xu ◽  
Mao Fa Jiang
Keyword(s):  
Electrical Conductivity ◽  
Solid State ◽  
Seebeck Coefficient ◽  
Thermoelectric Properties ◽  
Thermoelectric Materials ◽  
Solid State Reaction ◽  
Solid State Reaction Method ◽  
Maximum Power ◽  
Reaction Method

The K, Ca, Sr and Ce doped and non-doped γ-NaxCo2O4 samples were prepared by the solid-state reaction method. Results show that the Na-site doping might lead to an increase in the Seebeck coefficient and a decrease in the electrical conductivity of the samples. The maximum power factors of the K, Ca and Sr doped samples are respectively 2.04, 1.93 and 1.9 W·m-1·K-2, corresponding to an increase by 58%, 50% and 47% compared with that of the non-doped samples. Thus, the Na-site doping can improve the thermoelectric properties of γ-NaxCo2O4 oxides.

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).

The Influence of Silicon Dopant and Processing on Thermoelectric Properties of B4C Ceramics

1998 ◽  
Vol 545 ◽  
Author(s):  
Ke-Feng Cai ◽  
Ce-Wen Nan ◽  
Xin-Min Min
Keyword(s):  
Electrical Conductivity ◽  
Seebeck Coefficient ◽  
Thermoelectric Properties ◽  
Hot Pressing ◽  
Figure Of Merit ◽  
Room Temperature ◽  
A Value ◽  
Si Doped

AbstractB4C ceramics doped with various content of Si (0 to 2.03 at%) are prepared via hot pressing. The composition and microstructure of the ceramics are characterized by means of XRD and EPMA. Their electrical conductivity and Seebeck coefficient of the samples are measured from room temperature up to 1500K. The electrical conductivity increases with temperature, and more rapidly after 1300K; the Seebeck coefficient of the ceramics also increases with temperature and rises to a value of about 320μVK−1. The value of the figure of merit of Si-doped B4C rises to about 4 × 10−4K−1 at 1500K.

Band Structure and Thermoelectric Properties of Ni(x)Zn(1-x)Fe2O4

2021 ◽  
Vol 317 ◽  
pp. 28-34
Author(s):  
Joon Hoong Lim
Keyword(s):  
Thermal Conductivity ◽  
Electrical Conductivity ◽  
Band Structure ◽  
Seebeck Coefficient ◽  
Band Gap ◽  
Thermoelectric Properties ◽  
Xrd Analysis ◽  
Valence Band Maximum ◽  
Solid State Method ◽  
Ni Content

Thermoelectric materials has made a great potential in sustainable energy industries, which enable the energy conversion from heat to electricity. The band structure and thermoelectric properties of Ni(x)Zn(1-x)Fe2O4 have been investigated. The bulk pellets were prepared from analytical grade ZnO, NiO and Fe2O3 powder using solid-state method. It was possible to obtain high thermoelectric properties of Ni(x)Zn(1-x)Fe2O4 by controlling the ratios of dopants and the sintering temperature. XRD analysis showed that the fabricated samples have a single phase formation of cubic spinel structure. The thermoelectric properties of Ni(x)Zn(1-x)Fe2O4 pellets improved with increasing Ni. The electrical conductivity of Ni(x)Zn(1-x)Fe2O4 pellets decreased with increasing Ni content. The electrical conductivity of Ni(x)Zn(1-x)Fe2O4 (x = 0.0) is (0.515 x10-3 Scm-1). The band structure shows that ZnxCu1-xFe2O4 is an indirect band gap material with the valence band maximum (VBM) at M and conduction band minimum (CBM) at A. The band gap of Ni(x)Zn(1-x)Fe2O4 increased with increasing Ni content. The increasing band gap correlated with the lower electrical conductivity. The thermal conductivity of Ni(x)Zn(1-x)Fe2O4 pellets decreased with increasing Ni content. The presence of Ni served to decrease thermal conductivity by 8 Wm-1K-1 over pure samples. The magnitude of the Seebeck coefficient for Ni(x)Zn(1-x)Fe2O4 pellets increased with increasing amounts of Ni. The figure of merit for Ni(x)Zn(1-x)Fe2O4 pellets and thin films was improved by increasing Ni due to its high Seebeck coefficient and low thermal conductivity.

scholarly journals Preparation and Thermoelectric Properties of Graphite/poly(3,4-ethyenedioxythiophene) Nanocomposites

Energies ◽  
2018 ◽  
Vol 11 (10) ◽  
pp. 2849 ◽  
Author(s):  
Yong Du ◽  
Haixia Li ◽  
Xuechen Jia ◽  
Yunchen Dou ◽  
Jiayue Xu ◽  
...  
Keyword(s):  
Electrical Conductivity ◽  
Seebeck Coefficient ◽  
Thermoelectric Properties ◽  
Power Factor ◽  
Oxidative Polymerization ◽  
Polymerization Process ◽  
Measurement Temperature ◽  
Temperature Range ◽  
Different Content

Graphite/poly(3,4-ethyenedioxythiophene) (PEDOT) nanocomposites were prepared by an in-situ oxidative polymerization process. The electrical conductivity and Seebeck coefficient of the graphite/PEDOT nanocomposites with different content of graphite were measured in the temperature range from 300 K to 380 K. The results show that as the content of graphite increased from 0 to 37.2 wt %, the electrical conductivity of the nanocomposites increased sharply from 3.6 S/cm to 80.1 S/cm, while the Seebeck coefficient kept almost the same value (in the range between 12.0 μV/K to 15.1 μV/K) at 300 K, which lead to an increased power factor. The Seebeck coefficient of the nanocomposites increased from 300 K to 380 K, while the electrical conductivity did not substantially depend on the measurement temperature. As a result, a power factor of 3.2 μWm−1 K−2 at 380 K was obtained for the nanocomposites with 37.2 wt % graphite.

scholarly journals Effect of band structure adjustment based of Cu site on the thermoelectric properties of BiCuSeO

2021 ◽  
Author(s):  
Bo Feng
Keyword(s):  
Thermal Conductivity ◽  
Electrical Conductivity ◽  
Seebeck Coefficient ◽  
Effective Mass ◽  
Valence Band ◽  
Thermoelectric Properties ◽  
Density Of States ◽  
First Principles Calculation ◽  
Temperature Range ◽  
Ti Doping

Abstract The effect of Ti doped at Cu site on the thermoelectric properties of BiCuSeO was studied by experimental method and first principles calculation. The results show that Ti doping can cause the lattice contraction and decrease the lattice constant. Ti doping can increase the band gap and lengthen the Cu/Ti-Se bond, resulting in the decrease of carrier concentration. Ti doping can reduce the effective mass and the Bi-Se bond length, correspondingly improve the carrier mobility. Ti doping can decrease the density of states of Cu-3d and Se-4p orbitals at the top of valence band, but Ti-4p orbitals can obviously increase the density of states at the top of valence band and finally increase the electrical conductivity in the whole temperature range. With the decrease of effective mass, Ti doping would reduce the Seebeck coefficient, but the gain effect caused by the increase of electrical conductivity is more than the benefit reduction effect caused by the decrease of Seebeck coefficient, and the power factor shows an upward trend. Ti doping can reduce Young's modulus, lead to the increase of defect scattering and strain field, correspondingly reduce the lattice thermal conductivity and total thermal conductivity. It is greatly increased for the ZT values in the middle and high temperature range, with the highest value of 1.04 at 873 K.

Thermoelectric Properties of n-type (Bi2Se3)x(Bi2Te3)1-x Crystals Prepared by Zone Melting

2008 ◽  
Vol 368-372 ◽  
pp. 547-549
Author(s):  
Jun Jiang ◽  
Ya Li Li ◽  
Gao Jie Xu ◽  
Ping Cui ◽  
Li Dong Chen
Keyword(s):  
Thermal Conductivity ◽  
Electrical Conductivity ◽  
Seebeck Coefficient ◽  
Carrier Concentration ◽  
Thermoelectric Properties ◽  
Figure Of Merit ◽  
Zone Melting ◽  
Chemical Compositions ◽  
Melting Method ◽  
Temperature Range

In the present study, n-type (Bi2Se3)x(Bi2Te3)1-x crystals with various chemical compositions were fabricated by the zone melting method. Thermoelectric properties, including Seebeck coefficient (α), electrical conductivity (σ) and thermal conductivity (κ), were measured in the temperature range of 300-500 K. The influence of the variations of Bi2Te3 and Bi2Se3 content on thermoelectric properties was studied. The increase of Bi2Se3 content (x) caused an increase in carrier concentration and thus an increase of σ and a decrease of α. The maximum figure of merit (ZT = α2σT/κ) of 0.87 was obtained at about 325 K for the composition of 93%Bi2Te3-7%Bi2Se3 with doping TeI4.

Sign in / Sign up

Export Citation Format

Share Document