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Sample records for enhanced thermoelectric properties

  1. Designing of Bulk Nano-Structures with Enhanced Thermoelectric Properties

    National Research Council Canada - National Science Library

    Kanatzidis, Mercouri; Hogan, Timothy; Murray, Chris

    2007-01-01

    .... K2Bi8Se13 is a member of this series and was found to be a promising thermoelectric. The charge transport properties were studied under pressure, where a significant increase in the power factor was observed...

  2. Designing of Bulk Nano-Structures With Enhanced Thermoelectric Properties

    National Research Council Canada - National Science Library

    Kanatzidis, Mercouri G

    2007-01-01

    .... K2Bi8Se13 is a member of this series and was found to be a promising thermoelectric. The charge transport properties were studied under pressure, where a significant increase in the power factor was observed...

  3. Chemical Potential Tuning and Enhancement of Thermoelectric Properties in Indium Selenides.

    Science.gov (United States)

    Rhyee, Jong-Soo; Kim, Jin Hee

    2015-03-20

    Researchers have long been searching for the materials to enhance thermoelectric performance in terms of nano scale approach in order to realize phonon-glass-electron-crystal and quantum confinement effects. Peierls distortion can be a pathway to enhance thermoelectric figure-of-merit ZT by employing natural nano-wire-like electronic and thermal transport. The phonon-softening known as Kohn anomaly, and Peierls lattice distortion decrease phonon energy and increase phonon scattering, respectively, and, as a result, they lower thermal conductivity. The quasi-one-dimensional electrical transport from anisotropic band structure ensures high Seebeck coefficient in Indium Selenide. The routes for high ZT materials development of In₄Se₃ - δ are discussed from quasi-one-dimensional property and electronic band structure calculation to materials synthesis, crystal growth, and their thermoelectric properties investigations. The thermoelectric properties of In₄Se₃ - δ can be enhanced by electron doping, as suggested from the Boltzmann transport calculation. Regarding the enhancement of chemical potential, the chlorine doped In₄Se₃ - δ Cl 0.03 compound exhibits high ZT over a wide temperature range and shows state-of-the-art thermoelectric performance of ZT = 1.53 at 450 °C as an n -type material. It was proven that multiple elements doping can enhance chemical potential further. Here, we discuss the recent progress on the enhancement of thermoelectric properties in Indium Selenides by increasing chemical potential.

  4. Chemical Potential Tuning and Enhancement of Thermoelectric Properties in Indium Selenides

    Directory of Open Access Journals (Sweden)

    Jong-Soo Rhyee

    2015-03-01

    Full Text Available Researchers have long been searching for the materials to enhance thermoelectric performance in terms of nano scale approach in order to realize phonon-glass-electron-crystal and quantum confinement effects. Peierls distortion can be a pathway to enhance thermoelectric figure-of-merit ZT by employing natural nano-wire-like electronic and thermal transport. The phonon-softening known as Kohn anomaly, and Peierls lattice distortion decrease phonon energy and increase phonon scattering, respectively, and, as a result, they lower thermal conductivity. The quasi-one-dimensional electrical transport from anisotropic band structure ensures high Seebeck coefficient in Indium Selenide. The routes for high ZT materials development of In4Se3−δ are discussed from quasi-one-dimensional property and electronic band structure calculation to materials synthesis, crystal growth, and their thermoelectric properties investigations. The thermoelectric properties of In4Se3−δ can be enhanced by electron doping, as suggested from the Boltzmann transport calculation. Regarding the enhancement of chemical potential, the chlorine doped In4Se3−δCl0.03 compound exhibits high ZT over a wide temperature range and shows state-of-the-art thermoelectric performance of ZT = 1.53 at 450 °C as an n-type material. It was proven that multiple elements doping can enhance chemical potential further. Here, we discuss the recent progress on the enhancement of thermoelectric properties in Indium Selenides by increasing chemical potential.

  5. Enhanced thermoelectric property of oxygen deficient nickel doped SnO2 for high temperature application

    Science.gov (United States)

    Paulson, Anju; Sabeer, N. A. Muhammad; Pradyumnan, P. P.

    2018-04-01

    Motivated by the detailed investigation on the thermoelectric performance of oxide materials our work concentrated on the influence of acceptor dopants and defect density in the lattice plane for the enhancement of thermoelectric power. The series of Sn1‑x Nix O2 (0.01 ≤ x ≤ 0.05) compositions were prepared by solid state reaction mechanism and found that 3 atomic percentage Ni doped SnO2 can be considered as a good candidate due to its promising electrical and transport properties. Defect lattices were introduced in the sample and the deviation from oxygen stochiometry was ensured using photoluminescence measurement. High power factor was obtained for the 3 atomic percentage nickel doped SnO2 due to the effective number of charge carrier concentration and the depletion of oxygen rich layers. Defect centered and acceptor doped SnO2 lattice opens a new door for energy harvesting at higher temperatures.

  6. Enhancement of Thermoelectric Properties of PEDOT:PSS and Tellurium-PEDOT:PSS Hybrid Composites by Simple Chemical Treatment

    Science.gov (United States)

    Jin Bae, Eun; Hun Kang, Young; Jang, Kwang-Suk; Yun Cho, Song

    2016-01-01

    The thermoelectric properties of poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) and tellurium-PEDOT:PSS (Te-PEDOT:PSS) hybrid composites were enhanced via simple chemical treatment. The performance of thermoelectric materials is determined by their electrical conductivity, thermal conductivity, and Seebeck coefficient. Significant enhancement of the electrical conductivity of PEDOT:PSS and Te-PEDOT:PSS hybrid composites from 787.99 and 11.01 to 4839.92 and 334.68 S cm-1, respectively was achieved by simple chemical treatment with H2SO4. The power factor of the developed materials could be effectively tuned over a very wide range depending on the concentration of the H2SO4 solution used in the chemical treatment. The power factors of the developed thermoelectric materials were optimized to 51.85 and 284 μW m-1 K-2, respectively, which represent an increase of four orders of magnitude relative to the corresponding parameters of the untreated thermoelectric materials. Using the Te-PEDOT:PSS hybrid composites, a flexible thermoelectric generator that could be embedded in textiles was fabricated by a printing process. This thermoelectric array generates a thermoelectric voltage of 2 mV using human body heat.

  7. Enhanced electrical transport and thermoelectric properties in Ni doped Cu3SbSe4

    Science.gov (United States)

    Kumar, Aparabal; Dhama, P.; Das, Anish; Sarkar, Kalyan Jyoti; Banerji, P.

    2018-05-01

    In this study, we report the enhanced thermoelectric performance of Cu3SbSe4 by Ni doping at Cu site. Cu3-xNixSbSe4 (x = 0, 0.01, 0.03, 0.05) were prepared by melt growth, ball milling followed by spark plasma sintering. Structural characterization, phase analysis and surface morphology were carried out using X-ray diffraction, field emission scanning electron microscopy and energy dispersive X-ray spectroscopy. Electrical and thermal properties of all the samples were investigated in the temperature range 300 - 650 K. Decrease in electrical resistivity with Ni doping due to increase in carrier concentration with enhanced Seebeck coefficient via increase in density of state near the Fermi level gives a remarkably high power factor. At the same time, thermal conductivity was found to decrease due to increased carrier-phonon scattering and acoustic phonon scattering. Consequently, a remarkable enhancement in the thermoelectric figure of merit (ZT˜ 0.65) of Cu3-xNixSbSe4 was achieved for x = 0.01 sample. Thus, Ni doping is an effective approach to improve the efficiency of Cu3SbSe4.

  8. Enhanced low-temperature thermoelectrical properties of BiTeCl grown by topotactic method

    International Nuclear Information System (INIS)

    Jacimovic, J.; Mettan, X.; Pisoni, A.; Gaal, R.; Katrych, S.; Demko, L.; Akrap, A.; Forro, L.; Berger, H.; Bugnon, P.; Magrez, A.

    2014-01-01

    We developed a topotactic strategy to grow BiTeCl single crystals. Structural characterization by means of X-ray diffraction was performed, and the high crystallinity of the material was proven. Measurements of the thermoelectrical coefficients electrical resistivity, thermoelectric power and thermal conductivity show an enhanced room temperature power factor of 20 μW cm −1 K −2 . The high value of the figure of merit (ZT = 0.17) confirms that BiTeCl is a promising material for engineering in thermoelectric applications at low temperature

  9. Enhanced thermoelectric properties of bismuth telluride-organic hybrid films via graphene doping

    International Nuclear Information System (INIS)

    Rahman, Airul Azha Abd; Umar, Akrajas Ali; Salleh, Muhamad Mat; Chen, Xiaomei; Oyama, Munetaka

    2016-01-01

    The thermoelectric properties of graphene-doped bismuth telluride-PEDOT:PSS-glycerol (hybrid) films were investigated. Prior to the study, p-type and n-type hybrid films were prepared by doping the PEDOT:PSS-glycerol with the p- and n-type bismuth telluride. Graphene-doped hybrid films were prepared by adding graphene particles of concentration ranging from 0.02 to 0.1 wt% into the hybrid films. Films of graphene-doped hybrid system were then prepared on a glass substrate using a spin-coating technique. It was found that the electrical conductivity of the hybrid films increases with the increasing of the graphene-dopant concentration and optimum at 0.08 wt% for both p- and n-type films, namely 400 and 195 S/cm, respectively. Further increasing in the concentration caused a decreasing in the electrical conductivity. Analysis of the thermoelectric properties of the films obtained that the p-type film exhibited significant improvement in its thermoelectric properties, where the thermoelectric properties increased with the increasing of the doping concentration. Meanwhile, for the case of n-type film, graphene doping showed a negative effect to the thermoelectrical properties, where the thermoelectric properties decreased with the increasing of doping concentration. Seebeck coefficient (and power factor) for optimum p-type and n-type hybrid thin films, i.e., doped with 0.08 wt% of graphene, is 20 μV/K (and 160 μW m -1 K -2 ) and 10 μV/K (and 19.5 μW m -1 K -2 ), respectively. The obtained electrical conductivity and thermoelectric properties of graphene-doped hybrid film are interestingly several orders higher than the pristine hybrid films. A thermocouple device fabricated utilizing the p- and n-type graphene-doped hybrid films can generate an electric voltage as high as 2.2 mV under a temperature difference between the hot-side and the cold-side terminal as only low as 55 K. This is equivalent to the output power as high as 24.2 nW (for output load as high as 50

  10. Roles of Cu in the Enhanced Thermoelectric Properties in Bi0.5Sb1.5Te3

    Directory of Open Access Journals (Sweden)

    Feng Hao

    2017-03-01

    Full Text Available Recently, Cu-containing p-type Bi0.5Sb1.5Te3 materials have shown high thermoelectric performances and promising prospects for practical application in low-grade waste heat recovery. However, the position of Cu in Bi0.5Sb1.5Te3 is controversial, and the roles of Cu in the enhancement of thermoelectric performance are still not clear. In this study, via defects analysis and stability test, the possibility of Cu intercalation in p-type Bi0.5Sb1.5Te3 materials has been excluded, and the position of Cu is identified as doping at the Sb sites. Additionally, the effects of Cu dopants on the electrical and thermal transport properties have been systematically investigated. Besides introducing additional holes, Cu dopants can also significantly enhance the carrier mobility by decreasing the Debye screen length and weakening the interaction between carriers and phonons. Meanwhile, the Cu dopants interrupt the periodicity of lattice vibration and bring stronger anharmonicity, leading to extremely low lattice thermal conductivity. Combining the suppression on the intrinsic excitation, a high thermoelectric performance—with a maximum thermoelectric figure of merit of around 1.4 at 430 K—has been achieved in Cu0.005Bi0.5Sb1.495Te3, which is 70% higher than the Bi0.5Sb1.5Te3 matrix.

  11. Roles of Cu in the Enhanced Thermoelectric Properties in Bi0.5Sb1.5Te₃.

    Science.gov (United States)

    Hao, Feng; Qiu, Pengfei; Song, Qingfeng; Chen, Hongyi; Lu, Ping; Ren, Dudi; Shi, Xun; Chen, Lidong

    2017-03-01

    Recently, Cu-containing p-type Bi 0.5 Sb 1.5 Te₃ materials have shown high thermoelectric performances and promising prospects for practical application in low-grade waste heat recovery. However, the position of Cu in Bi 0.5 Sb 1.5 Te₃ is controversial, and the roles of Cu in the enhancement of thermoelectric performance are still not clear. In this study, via defects analysis and stability test, the possibility of Cu intercalation in p-type Bi 0.5 Sb 1.5 Te₃ materials has been excluded, and the position of Cu is identified as doping at the Sb sites. Additionally, the effects of Cu dopants on the electrical and thermal transport properties have been systematically investigated. Besides introducing additional holes, Cu dopants can also significantly enhance the carrier mobility by decreasing the Debye screen length and weakening the interaction between carriers and phonons. Meanwhile, the Cu dopants interrupt the periodicity of lattice vibration and bring stronger anharmonicity, leading to extremely low lattice thermal conductivity. Combining the suppression on the intrinsic excitation, a high thermoelectric performance-with a maximum thermoelectric figure of merit of around 1.4 at 430 K-has been achieved in Cu 0.005 Bi 0.5 Sb 1.495 Te₃, which is 70% higher than the Bi 0.5 Sb 1.5 Te₃ matrix.

  12. Enhanced thermoelectric properties of metal film on bismuth telluride-based materials

    International Nuclear Information System (INIS)

    Chao, Wen Hsuan; Chen, Yi Ray; Tseng, Shih Chun; Yang, Ping Hsing; Wu, Ren Jye; Hwang, Jenn Yeu

    2014-01-01

    Diffusion barriers have a significant influence on the reliability and life time of thermoelectric modules. Although nickel is commonly used as a diffusion barrier in commercial thermoelectric modules, several studies have verified that Ni migrates to bismuth telluride-based material during high temperature cycles and causes a loss in efficacy. In this paper, the influence of metal layers coated to p-type and n-type Bi 2 Te 3 on the interface characterization and thermoelectric property is studied using a RF magnetron sputtering. The findings from this study demonstrate the structural and thermoelectric properties of p-type and n-type Bi 2 Te 3 coated with different metal layers. The crystalline phase and compositional change of the interface between the Bi 2 Te 3 materials and the metal layers were determined using an X-ray diffractometer and scanning electron microscopy with energy dispersive spectroscopy. Formation of NiTe was observed in the sample of Ni/p-type Bi 2 Te 3 based films post-annealed in an N 2 atmosphere at 200 °C. In contrast, no Co x Te y was formed in the sample of Co/p-type Bi 2 Te 3 based films post-annealed at 200 °C. For as-deposited Ni/p-type and n-type Bi 2 Te 3 based legs, the Ni slightly diffused into the Bi 2 Te 3 based legs. A similar phenomenon also occurred in the as-deposited Co/p-type and n-type Bi 2 Te 3 based legs. The Seebeck coefficients of the Co contacts on the Bi 2 Te 3 based material displayed better behavior than those of the Ni contacts on the Bi 2 Te 3 based legs. Thus Co could be a suitable diffusion barrier for bulk Bi 2 Te 3 based material. The observed effects on the thermoelectric and structural properties of metal/Bi 2 Te 3 based material are crucial for understanding the interface between the diffusion barrier and thermoelectric materials. - Highlights: • Interface characterization of metal coated to p-type and n-type Bi 2 Te 3 is studied. • We examined the phase transformation of metal/Bi 2 Te 3 based films

  13. Enhanced thermoelectric properties of polycrystalline Bi2Te3 core fibers with preferentially oriented nanosheets

    Directory of Open Access Journals (Sweden)

    Min Sun

    2018-03-01

    Full Text Available Bi2Te3-based materials have been reported to be one of the best room-temperature thermoelectric materials, and it is a challenge to substantially improve their thermoelectric properties. Here novel Bi2Te3 core fibers with borosilicate glass cladding were fabricated utilizing a modified molten core drawing method. The Bi2Te3 core of the fiber was found to consist of hexagonal polycrystalline nanosheets, and polycrystalline nanosheets had a preferential orientation; in other words, the hexagonal Bi2Te3 lamellar cleavage more tended to be parallel to the symmetry axis of the fibers. Compared with a homemade 3-mm-diameter Bi2Te3 rod, the polycrystalline nanosheets’ preferential orientation in the 89-μm-diameter Bi2Te3 core increased its electrical conductivity, but deduced its Seebeck coefficient. The Bi2Te3 core exhibits an ultrahigh ZT of 0.73 at 300 K, which is 232% higher than that of the Bi2Te3 rod. The demonstration of fibers with oriented nano-polycrystalline core and the integration with an efficient fabrication technique will pave the way for the fabrication of high-performance thermoelectric fibers.

  14. Significant enhancement of thermoelectric properties and metallization of Al-doped Mg2Si under pressure

    International Nuclear Information System (INIS)

    Morozova, Natalia V.; Korobeinikov, Igor V.; Karkin, Alexander E.; Shchennikov, Vladimir V.; Ovsyannikov, Sergey V.; Takarabe, Ken-ichi; Mori, Yoshihisa; Nakamura, Shigeyuki

    2014-01-01

    We report results of investigations of electronic transport properties and lattice dynamics of Al-doped magnesium silicide (Mg 2 Si) thermoelectrics at ambient and high pressures to and beyond 15 GPa. High-quality samples of Mg 2 Si doped with 1 at. % of Al were prepared by spark plasma sintering technique. The samples were extensively examined at ambient pressure conditions by X-ray diffraction studies, Raman spectroscopy, electrical resistivity, magnetoresistance, Hall effect, thermoelectric power (Seebeck effect), and thermal conductivity. A Kondo-like feature in the electrical resistivity curves at low temperatures indicates a possible magnetism in the samples. The absolute values of the thermopower and electrical resistivity, and Raman spectra intensity of Mg 2 Si:Al dramatically diminished upon room-temperature compression. The calculated thermoelectric power factor of Mg 2 Si:Al raised with pressure to 2–3 GPa peaking in the maximum the values as high as about 8 × 10 −3 W/(K 2 m) and then gradually decreased with further compression. Raman spectroscopy studies indicated the crossovers near ∼5–7 and ∼11–12 GPa that are likely related to phase transitions. The data gathered suggest that Mg 2 Si:Al is metallized under moderate pressures between ∼5 and 12 GPa.

  15. Enhanced thermoelectric properties of N-type polycrystalline In4Se3-x compounds via thermally induced Se deficiency

    Science.gov (United States)

    Zhao, Ran; Shu, Yu-Tian; Guo, Fu

    2014-03-01

    In4Se3-x compound is considered as a potential thermoelectric material due to its comparably low thermal conductivity among all existing ones. While most studies investigated In4Se3-x thermoelectric properties by controlling selennium or other dopants concentrations, in the current study, it was found that even for a fixed initial In/Se ratio, the resulting In/Se ratio varied significantly with different thermal processing histories (i.e., melting and annealing), which also resulted in varied thermoelectric properties as well as fracture surface morphologies of In4Se3-x polycrystalline specimens. Single phase polycrystalline In4Se3-x compounds were synthesized by combining a sequence of melting, annealing, pulverizing, and spark plasma sintering. The extension of previous thermal history was observed to significantly improve the electrical conductivity (about 121%) and figure of merit (about 53%) of In4Se3-x polycrystalline compounds. The extended thermal history resulted in the increase of Se deficiency (x) from 0.39 to 0.53. This thermally induced Se deficiency was observed to associate with increasing carrier mobility but decreasing concentration, which differs from the general trend observed for the initially adjusted Se deficiency at room temperature. Unusually large dispersed grains with nanosize layers were observed in specimens with the longest thermal history. The mechanism(s) by which previous thermal processing enhances carrier mobility and affect microstructural evolution are briefly discussed.

  16. Thermoelectric properties control due to doping level and sintering conditions for FGM thermoelectric element

    CERN Document Server

    Kajikawa, T; Shiraishi, K; Ohmori, M; Hirai, T

    1999-01-01

    Thermoelectric performance is determined with three factors, namely, Seebeck coefficient, electrical resistivity and thermal conductivity. For metal and single crystalline semiconductor, those factors have close interrelation each $9 other. However, as the sintered thermoelectric element has various levels of superstructure from macro scale and micro scale in terms of the thermoelectric mechanism, the relationship among them is more complex than that for the $9 melt- grown element, so it is suggested that the control of the temperature dependence of thermoelectric properties is possible to enhance the thermoelectric performance for wide temperature range due to FGM approach. The research $9 objective is to investigate the characteristics of the thermoelectric properties for various doping levels and hot-pressed conditions to make the thermoelectric elements for which the temperature dependence of the performance is $9 controlled due to FGM approach varying the doping levels and sintering conditions. By usage ...

  17. Enhancement of thermoelectric properties of Mg2Si compounds with Bi doping through carrier concentration tuning

    Science.gov (United States)

    Lee, Ji Eun; Cho, Sang-Hum; Oh, Min-Wook; Ryu, Byungi; Joo, Sung-Jae; Kim, Bong-Seo; Min, Bok-Ki; Lee, Hee-Woong; Park, Su-Dong

    2014-07-01

    The Bi-doped Mg2Si powder was fabricated with solid state reaction method and consolidated with hot pressing method and then its thermoelectric properties were investigated. The n-type transport properties were measured in all samples and temperature dependence of the electrical properties shows a behavior of degenerate semiconductors for Bi-doped samples. The electrical resistivity and the Seebeck coefficient were greatly reduced with Bi, which was mainly due to the increment of the carrier concentration. The samples have maximum carrier concentration of 8.2 × 1018 cm-3. The largest ZT value of 0.61 was achieve at 873 K for Mg2.04SiBi0.02. The Bi-doping was found to be an effective n-type dopant to adjust carrier concentration. [Figure not available: see fulltext.

  18. The enhanced thermoelectric properties of BiMnO3 ceramics by Sr-doped

    Science.gov (United States)

    Yu, X. Y.; Wang, Y.; Peng, J. J.; Wang, B. L.; Wei, K. L.; Liu, J. M.; He, Q. Y.

    2018-04-01

    A series of Bi1‑xSrxMnO3 (x = 0.40, 0.45, 0.50, 0.55) samples labeled as BSMO040, BSMO045, BSMO050, and BSMO055, respectively, have been fabricated by the modified solid-state reaction method. The crystal structural, microstructures, and chemical states of the elements and the thermoelectric properties were investigated with respect to the partial substitution of Sr2+ for Bi3+. The samples were characterized by x-ray diffraction (XRD) at 723 K, scanning electron microscopy (SEM), and x-ray photoelectron spectroscopy (XPS). Moreover, their electrical conductivities (σ), Seebeck coefficients (S), and thermal conductivities (κ) were determined. All the samples exhibited orthorhombic structure. The partial substitution of Sr2+ for Bi3+ caused valence shift of some Mn ions from +3 to +4 to maintain electric charge balance. The change in electric charge led to an increase in electron concentration, and thus, the electrical conductivity as well as the absolute value of Seebeck coefficient increased. Consequently, the power factor also increased. The highest power factor (0.3 × 10‑4 Wm‑1 K‑1) was obtained for BSMO055 at 1023 K. Moreover, the highest dimensionless figure-of-merit (ZT) obtained in this study was 0.015 for BSMO055 at 1073 K. It can be concluded that the partial substitution of Sr2+ for Bi3+ in the Bi1‑xSrxMnO3 samples (x = 0.40, 0.45, 0.50, and 0.55) improved the thermoelectric properties effectively.

  19. Thermoelectric Properties of Silicon Germanium: An Investigation of the Reduction of Lattice Thermal Conductivity and Enhancement of Power Factor

    Science.gov (United States)

    Lahwal, Ali Sadek

    theoretical density. At room temperature, we observed approximately a 50% reduction in the lattice thermal conductivity as result of adding 10 volume % YSZ to the Si80Ge 20P2 host matrix. A phenomenological Callaway model was used to corroborate both the temperature dependence and the reduction of kappaL over the measured temperature range (30--800K) of both Si80Ge 20P2 and Si80 Ge20P2 + YSZ samples. The observed kappaL is discussed and interpreted in terms of various phonon scattering mechanisms including alloy disorder, the Umklapp process, and boundary scattering. Specifically, a contribution from the phonon scattering by YSZ nanoparticles was further included to account for the kappaL of Si80Ge20P 2 +YSZ samples. In addition, a core shell treatment was applied onto p-type SiGe. Ball milled Si80Ge 20B1.7 alloys were coated with YSZ with different thicknesses and characterized upon their thermoelectric properties. The results show that YSZ coatings are capable of greatly reducing the thermal conductivity especially the lattice thermal conductivity. These coatings are applied directly onto mechanical alloyed (MA), p-type SiGe. The only concern about the YSZ core shelling is that these coatings turned out to be too thick degrading the electrical conductivity of the material. Our second approach, in a parallel work, is to enhance the thermoelectric power factor as well as the dimensionless figure of merit ZT of: (i) single element spark plasma sintered (SE SPS) SiGe alloys. (ii) ball milled (BM) SiGe , via sodium boron hydrate (NaBH4) alkali-metal-salt treatment. Sodium boron hydrate alkali-metal-salt thermally decomposes (decompose temperature 600 ˜ 700 K) to elemental solid sodium, solid boron, and hydrogen gas, as binary phases, e.g., Na-B or Na-H, or as a ternary phase, Na- B-H. Upon SPS at 1020 K, it is inferred that Na dopes SiGe while forming Na 2B29 phase, leading to a reduction in the electrical resistivity without much degrading the Seebeck coefficient, consequently

  20. Enhanced thermoelectric properties of PEDOT/PSS/Te composite films treated with H2SO4

    International Nuclear Information System (INIS)

    Song, Haijun; Cai, Kefeng; Shen, Shirley

    2016-01-01

    Firstly, tellurium (Te) nanorods with a high Seebeck coefficient have been integrated into a conducting polymer PEDOT/PSS to form PEDOT/PSS/Te composite films. The Seebeck coefficient of the PEDOT/PSS/Te (90 wt.%) composite films is ~191 μV/K, which is about 13 times greater than that of pristine PEDOT/PSS. Then, H 2 SO 4 treatment has been used to further tune the thermoelectric properties of the composite films by adjusting the doping level and increasing the carrier concentration. After the acid treatment, the electrical conductivity of the composite films has increased from 0.22 to 1613 S/cm due to the removal of insulating PSS and the structural rearrangement of PEDOT. An optimized power factor of 42.1 μW/mK 2 has been obtained at room temperature for a PEDOT/PSS/Te (80 wt.%) sample, which is about ten times larger than that of the untreated PEDOT/PSS/Te composite film.

  1. Enhancement of thermoelectric properties by energy filtering: Theoretical potential and experimental reality in nanostructured ZnSb

    Energy Technology Data Exchange (ETDEWEB)

    Berland, Kristian [Centre for Materials Science and Nanotechnology (SMN), University of Oslo, P.O.B. 1126 Blindern, NO-0318 Oslo (Norway); Song, Xin [Department of Physics, University of Oslo, P.O.B. 1048 Blindern, NO-0316 Oslo (Norway); Carvalho, Patricia A. [SINTEF Materials and Chemistry, Forskningsveien 1, NO-0314 Oslo (Norway); Persson, Clas; Finstad, Terje G. [Centre for Materials Science and Nanotechnology (SMN), University of Oslo, P.O.B. 1126 Blindern, NO-0318 Oslo (Norway); Department of Physics, University of Oslo, P.O.B. 1048 Blindern, NO-0316 Oslo (Norway); Løvvik, Ole Martin [Department of Physics, University of Oslo, P.O.B. 1048 Blindern, NO-0316 Oslo (Norway); SINTEF Materials and Chemistry, Forskningsveien 1, NO-0314 Oslo (Norway)

    2016-03-28

    Energy filtering has been suggested by many authors as a means to improve thermoelectric properties. The idea is to filter away low-energy charge carriers in order to increase Seebeck coefficient without compromising electronic conductivity. This concept was investigated in the present paper for a specific material (ZnSb) by a combination of first-principles atomic-scale calculations, Boltzmann transport theory, and experimental studies of the same system. The potential of filtering in this material was first quantified, and it was as an example found that the power factor could be enhanced by an order of magnitude when the filter barrier height was 0.5 eV. Measured values of the Hall carrier concentration in bulk ZnSb were then used to calibrate the transport calculations, and nanostructured ZnSb with average grain size around 70 nm was processed to achieve filtering as suggested previously in the literature. Various scattering mechanisms were employed in the transport calculations and compared with the measured transport properties in nanostructured ZnSb as a function of temperature. Reasonable correspondence between theory and experiment could be achieved when a combination of constant lifetime scattering and energy filtering with a 0.25 eV barrier was employed. However, the difference between bulk and nanostructured samples was not sufficient to justify the introduction of an energy filtering mechanism. The reasons for this and possibilities to achieve filtering were discussed in the paper.

  2. Enhanced Thermoelectric Properties of Graphene/Cu2SnSe3 Composites

    Directory of Open Access Journals (Sweden)

    Degang Zhao

    2017-02-01

    Full Text Available Cu2SnSe3 material is regarded as a potential thermoelectric material due to its relatively high carrier mobility and low thermal conductivity. In this study, graphene was introduced into the Cu2SnSe3 powder by ball milling, and the bulk graphene/Cu2SnSe3 thermoelectric composites were prepared by spark plasma sintering. The graphene nanosheets distributed uniformly in the Cu2SnSe3 matrix. Meanwhile, some graphene nanosheets tended to form thick aggregations, and the average length of these aggregations was about 3 μm. With the fraction of graphene increasing, the electrical conductivity of graphene/Cu2SnSe3 samples increased greatly while the Seebeck coefficient was decreased. The introduction of graphene nanosheets can reduce the thermal conductivity effectively resulting from the phonon scattering by the graphene interface. When the content of graphene exceeds a certain value, the thermal conductivity of graphene/Cu2SnSe3 composites starts to increase. The achieved highest figure of merit (ZT for 0.25 vol % graphene/Cu2SnSe3 composite was 0.44 at 700 K.

  3. Thermoelectric properties of one-dimensional graphene antidot arrays

    International Nuclear Information System (INIS)

    Yan, Yonghong; Liang, Qi-Feng; Zhao, Hui; Wu, Chang-Qin; Li, Baowen

    2012-01-01

    We investigate the thermoelectric properties of one-dimensional (1D) graphene antidot arrays by nonequilibrium Green's function method. We show that by introducing antidots to the pristine graphene nanoribbon the thermal conductance can be reduced greatly while keeping the power factor still high, thus leading to an enhanced thermoelectric figure of merit (ZT). Our numerical results indicate that ZT values of 1D antidot graphene arrays can be up to unity, which means the 1D graphene antidot arrays may be promising for thermoelectric applications. -- Highlights: ► We study thermoelectric properties of one-dimensional (1D) graphene antidot arrays. ► Thermoelectric figure of merit (ZT) of 1D antidot arrays can exceed unity. ► ZT of 1D antidot arrays is larger than that of two-dimensional arrays.

  4. Enhanced thermoelectric properties of nano SiC dispersed Bi2Sr2Co2Oy Ceramics

    Science.gov (United States)

    Hu, Qiujun; Wang, Kunlun; Zhang, Yingjiu; Li, Xinjian; Song, Hongzhang

    2018-04-01

    The thermoelectric properties of Bi2Sr2Co2Oy + x wt% nano SiC (x = 0.00, 0.025, 0.05, 0.1, 0.2, and 0.3) prepared by the solid-state reaction method were investigated from 300 K to 923 K. The resistivity can be reduced effectively by adding a small amount of SiC nano particles, which is attributed to the increase of the carrier concentration. At the same time, the Seebeck coefficients can be improved effectively due to the energy filtering effect that low energy carriers are strongly dispersed at the interface between the SiC nano particles and the matrix. The decrease of thermal conductivity is due to the increase of the scattering ability of the phonons by the SiC nanoparticles distributed at the boundary of the matrix. As a result, the Bi2Sr2Co2Oy + x wt% SiC composites exhibit better thermoelectric properties. The maximum ZT value 0.24 is obtained when x = 0.05 at 923 K. Compared with the sample without SiC nano particles, the ZT value is increased by about 59.7%.

  5. semiconducting nanostructures: morphology and thermoelectric properties

    Science.gov (United States)

    Culebras, Mario; Torán, Raquel; Gómez, Clara M.; Cantarero, Andrés

    2014-08-01

    Semiconducting metallic oxides, especially perosvkite materials, are great candidates for thermoelectric applications due to several advantages over traditionally metallic alloys such as low production costs and high chemical stability at high temperatures. Nanostructuration can be the key to develop highly efficient thermoelectric materials. In this work, La 1- x Ca x MnO 3 perosvkite nanostructures with Ca as a dopant have been synthesized by the hydrothermal method to be used in thermoelectric applications at room temperature. Several heat treatments have been made in all samples, leading to a change in their morphology and thermoelectric properties. The best thermoelectric efficiency has been obtained for a Ca content of x=0.5. The electrical conductivity and Seebeck coefficient are strongly related to the calcium content.

  6. Thermoelectric properties of semiconductor nanowire networks

    Science.gov (United States)

    Roslyak, Oleksiy; Piryatinski, Andrei

    2016-03-01

    To examine the thermoelectric (TE) properties of a semiconductor nanowire (NW) network, we propose a theoretical approach mapping the TE network on a two-port network. In contrast to a conventional single-port (i.e., resistor) network model, our model allows for large scale calculations showing convergence of TE figure of merit, ZT, with an increasing number of junctions. Using this model, numerical simulations are performed for the Bi2Te3 branched nanowire (BNW) and Cayley tree NW (CTNW) network. We find that the phonon scattering at the network junctions plays a dominant role in enhancing the network ZT. Specifically, disordered BNW and CTNW demonstrate an order of magnitude higher ZT enhancement compared to their ordered counterparts. Formation of preferential TE pathways in CTNW makes the network effectively behave as its BNW counterpart. We provide formalism for simulating large scale nanowire networks hinged upon experimentally measurable TE parameters of a single T-junction.

  7. Enhanced thermoelectric properties of PEDOT/PSS/Te composite films treated with H{sub 2}SO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Song, Haijun; Cai, Kefeng, E-mail: kfcai@tongji.edu.cn [Tongji University, Key Laboratory of Advanced Civil Engineering Materials of Ministry of Education, School of Materials Science and Engineering (China); Shen, Shirley [CSIRO Manufacturing (Australia)

    2016-12-15

    Firstly, tellurium (Te) nanorods with a high Seebeck coefficient have been integrated into a conducting polymer PEDOT/PSS to form PEDOT/PSS/Te composite films. The Seebeck coefficient of the PEDOT/PSS/Te (90 wt.%) composite films is ~191 μV/K, which is about 13 times greater than that of pristine PEDOT/PSS. Then, H{sub 2}SO{sub 4} treatment has been used to further tune the thermoelectric properties of the composite films by adjusting the doping level and increasing the carrier concentration. After the acid treatment, the electrical conductivity of the composite films has increased from 0.22 to 1613 S/cm due to the removal of insulating PSS and the structural rearrangement of PEDOT. An optimized power factor of 42.1 μW/mK{sup 2} has been obtained at room temperature for a PEDOT/PSS/Te (80 wt.%) sample, which is about ten times larger than that of the untreated PEDOT/PSS/Te composite film.

  8. Enhancing Thermoelectric Performance Using Nonlinear Transport Effects

    Science.gov (United States)

    Jiang, Jian-Hua; Imry, Yoseph

    2017-06-01

    We study nonlinear transport effects on the maximum efficiency and power for both inelastic and elastic thermoelectric generators. The former device refers to phonon-assisted hopping in double quantum dots, while the latter device is represented by elastic tunneling through a single quantum dot. We find that nonlinear thermoelectric transport can lead to enhanced efficiency and power for both types of devices. A comprehensive survey of various quantum-dot energy, temperature, and parasitic heat conduction reveals that the nonlinear transport-induced improvements of the maximum efficiency and power are overall much more significant for inelastic devices than for elastic devices, even for temperature biases as small as Th=1.2 Tc (Th and Tc are the temperatures of the hot and cold reservoirs, respectively). The underlying mechanism is revealed as due to the fact that, unlike the Fermi distribution, the Bose distribution is not bounded when the temperature bias increases. A large flux density of absorbed phonons leads to a great enhancement of the electrical current, output power, and energy efficiency, dominating over the concurrent increase of the parasitic heat current. Our study reveals that nonlinear transport effects can be a useful tool for improving thermoelectric performance.

  9. Thermoelectric properties of finite graphene antidot lattices

    DEFF Research Database (Denmark)

    Gunst, Tue; Markussen, Troels; Jauho, Antti-Pekka

    2011-01-01

    We present calculations of the electronic and thermal transport properties of graphene antidot lattices with a finite length along the transport direction. The calculations are based on the π-tight-binding model and the Brenner potential. We show that both electronic and thermal transport...... properties converge fast toward the bulk limit with increasing length of the lattice: only a few repetitions (≃6) of the fundamental unit cell are required to recover the electronic band gap of the infinite lattice as a transport gap for the finite lattice. We investigate how different antidot shapes...... and sizes affect the thermoelectric properties. The resulting thermoelectric figure of merit, ZT, can exceed 0.25, and it is highly sensitive to the atomic arrangement of the antidot edges. Specifically, hexagonal holes with pure armchair edges lead to an order-of-magnitude larger ZT as compared to pure...

  10. Significant enhancement in thermoelectric properties of polycrystalline Pr-doped SrTiO3−δ ceramics originating from nonuniform distribution of Pr dopants

    KAUST Repository

    Dehkordi, Arash Mehdizadeh; Bhattacharya, Sriparna; He, Jian; Alshareef, Husam N.; Tritt, Terry M.

    2014-01-01

    Recently, we have reported a significant enhancement ( >70% at 500 °C) in the thermoelectric power factor (PF) of bulk polycrystalline Pr-doped SrTiO3 ceramics employing a novel synthesis strategy which led to the highest ever reported values of PF among doped polycrystalline SrTiO3. It was found that the formation of Pr-rich grain boundary regions gives rise to an enhancement in carrier mobility. In this Letter, we investigate the electronic and thermal transport in Sr1− x Pr x TiO3 ceramics in order to determine the optimum doping concentration and to evaluate the overall thermoelectric performance. Simultaneous enhancement in the thermoelectric power factor and reduction in thermal conductivity in these samples resulted in more than 30% improvement in the dimensionless thermoelectric figure of merit (ZT) for the whole temperature range over all previously reported maximum values. Maximum ZT value of 0.35 was obtained at 500 °C.

  11. Significant enhancement in thermoelectric properties of polycrystalline Pr-doped SrTiO3−δ ceramics originating from nonuniform distribution of Pr dopants

    KAUST Repository

    Dehkordi, Arash Mehdizadeh

    2014-05-12

    Recently, we have reported a significant enhancement ( >70% at 500 °C) in the thermoelectric power factor (PF) of bulk polycrystalline Pr-doped SrTiO3 ceramics employing a novel synthesis strategy which led to the highest ever reported values of PF among doped polycrystalline SrTiO3. It was found that the formation of Pr-rich grain boundary regions gives rise to an enhancement in carrier mobility. In this Letter, we investigate the electronic and thermal transport in Sr1− x Pr x TiO3 ceramics in order to determine the optimum doping concentration and to evaluate the overall thermoelectric performance. Simultaneous enhancement in the thermoelectric power factor and reduction in thermal conductivity in these samples resulted in more than 30% improvement in the dimensionless thermoelectric figure of merit (ZT) for the whole temperature range over all previously reported maximum values. Maximum ZT value of 0.35 was obtained at 500 °C.

  12. Thermoelectric properties of doped BaHfO_3

    International Nuclear Information System (INIS)

    Dixit, Chandra Kr.; Bhamu, K. C.; Sharma, Ramesh

    2016-01-01

    We have studied the structural stability, electronic structure, optical properties and thermoelectric properties of doped BaHfO_3 by full potential linearized augmented plane wave (FP-LAPW) method. The electronic structure of BaHfO_3 doped with Sr shows enhances the indirect band gaps of 3.53 eV, 3.58 eV. The charge density plots show strong ionic bonding in Ba-Hf, and ionic and covalent bonding between Hf and O. Calculations of the optical spectra, viz., the dielectric function, refractive index and extinction coefficient are performed for the energy range are calculated and analyzed. Thermoelectric properties of semi conducting are also reported first time. The doped BaHfO_3 is approximately wide band gap semiconductor with the large p-type Seebeck coefficient. The power factor of BaHfO_3 is increased with Sr doping, decreases because of low electrical resistivity and thermal conductivity.

  13. Thermoelectric properties of SnSe compound

    Energy Technology Data Exchange (ETDEWEB)

    Guan, Xinhong [State Key Laboratory of Information Photonics and Optical Communications, Ministry of Education, Beijing University of Posts and Telecommunications, P.O. Box 72, Beijing 100876 (China); Lu, Pengfei, E-mail: photon@bupt.edu.cn [State Key Laboratory of Information Photonics and Optical Communications, Ministry of Education, Beijing University of Posts and Telecommunications, P.O. Box 72, Beijing 100876 (China); Wu, Liyuan; Han, Lihong [State Key Laboratory of Information Photonics and Optical Communications, Ministry of Education, Beijing University of Posts and Telecommunications, P.O. Box 72, Beijing 100876 (China); Liu, Gang [School of Electronic Engineering, Beijing University of Posts and Telecommunications, Beijing 100876 (China); Song, Yuxin [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China); Wang, Shumin [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China); Photonics Laboratory, Department of Microtechnology and Nanoscience, Chalmers University of Technology, 41296 Gothenburg (Sweden)

    2015-09-15

    Highlights: • The electronic and thermoelectric properties of SnSe bulk material are studied. • The ZT can reach as high as 1.87 along yy and 1.6 along zz direction at 800k. • SnSe is an indirect-band material, and SOC has little effect on the band structure. • The high ZT can be attributed to the intrinsically ultralow thermal conductivity. - Abstract: A first-principles study and Boltzmann transport theory have been performed to evaluate the electronic structure and thermoelectric properties of SnSe compound. The energy band structure and density of states are studied in detail. The electronic transport coefficients are then calculated as a function of chemical potential or temperature within the assumption of the constant relaxation time. The figure of merit ZT is obtained with the use of calculated thermoelectric properties and can reach as high as 1.87 along yy and 1.6 along zz direction at 800 K. Our theoretical result agrees well with previous experimental data.

  14. Thermoelectric properties of SnSe compound

    International Nuclear Information System (INIS)

    Guan, Xinhong; Lu, Pengfei; Wu, Liyuan; Han, Lihong; Liu, Gang; Song, Yuxin; Wang, Shumin

    2015-01-01

    Highlights: • The electronic and thermoelectric properties of SnSe bulk material are studied. • The ZT can reach as high as 1.87 along yy and 1.6 along zz direction at 800k. • SnSe is an indirect-band material, and SOC has little effect on the band structure. • The high ZT can be attributed to the intrinsically ultralow thermal conductivity. - Abstract: A first-principles study and Boltzmann transport theory have been performed to evaluate the electronic structure and thermoelectric properties of SnSe compound. The energy band structure and density of states are studied in detail. The electronic transport coefficients are then calculated as a function of chemical potential or temperature within the assumption of the constant relaxation time. The figure of merit ZT is obtained with the use of calculated thermoelectric properties and can reach as high as 1.87 along yy and 1.6 along zz direction at 800 K. Our theoretical result agrees well with previous experimental data

  15. Enhanced thermoelectric power in ultrathin topological insulators with magnetic doping

    KAUST Repository

    Tahir, M.

    2014-09-07

    We derive analytical expressions for the magnetic moment and orbital magnetization as well as for the corresponding thermal conductivity and thermoelectric power of a topological insulator film. We demonstrate enhancement of the thermoelectric transport for decreasing film thickness and for application of an exchange field due to the tunable band gap. Combining hybridization and exchange field is particularly suitable for heat to electric energy conversion and thermoelectric cooling.

  16. Enhanced thermoelectric power in ultrathin topological insulators with magnetic doping

    KAUST Repository

    Tahir, M.; Manchon, Aurelien; Schwingenschlö gl, Udo

    2014-01-01

    We derive analytical expressions for the magnetic moment and orbital magnetization as well as for the corresponding thermal conductivity and thermoelectric power of a topological insulator film. We demonstrate enhancement of the thermoelectric transport for decreasing film thickness and for application of an exchange field due to the tunable band gap. Combining hybridization and exchange field is particularly suitable for heat to electric energy conversion and thermoelectric cooling.

  17. Thermoelectric properties of silicon nano pillars

    Energy Technology Data Exchange (ETDEWEB)

    Stranz, Andrej; Soekmen, Uensal; Waag, Andreas; Peiner, Erwin [Institute of Semiconductor Technology, Braunschweig (Germany)

    2010-07-01

    In order to establish silicon as a efficient thermoelectric material, its high thermal conductivity has to be reduced which is feasible, e.g., by nano structuring. Therefore, in this study Si-based sub-micron pillars of various dimensions were investigated. Using anisotropic etching followed by thermal oxidation we could fabricate pillars of diameters <500 nm, about 25 {mu}m in height with aspect ratios of more than 50. The distance between the pillars was varied from 500 nm to 10 micron. Besides the fabrication and structural characterization of sub-micron silicon pillars, and adequate metrology for measuring their thermoelectric properties was implemented. Commercial tungsten probes and self-made gold probes, as well as Wollaston wire probes were used for electrical and thermal conductivity, as well as Seebeck voltage measurements on single pillars in a scanning electron microscope equipped with nano manipulators.

  18. Thermal conductivity engineering in width-modulated silicon nanowires and thermoelectric efficiency enhancement

    Science.gov (United States)

    Zianni, Xanthippi

    2018-03-01

    Width-modulated nanowires have been proposed as efficient thermoelectric materials. Here, the electron and phonon transport properties and the thermoelectric efficiency are discussed for dimensions above the quantum confinement regime. The thermal conductivity decreases dramatically in the presence of thin constrictions due to their ballistic thermal resistance. It shows a scaling behavior upon the width-modulation rate that allows for thermal conductivity engineering. The electron conductivity also decreases due to enhanced boundary scattering by the constrictions. The effect of boundary scattering is weaker for electrons than for phonons and the overall thermoelectric efficiency is enhanced. A ZT enhancement by a factor of 20-30 is predicted for width-modulated nanowires compared to bulk silicon. Our findings indicate that width-modulated nanostructures are promising for developing silicon nanostructures with high thermoelectric efficiency.

  19. Compressive strain induced enhancement in thermoelectric-power-factor in monolayer MoS2 nanosheet

    International Nuclear Information System (INIS)

    Dimple; Jena, Nityasagar; De Sarkar, Abir

    2017-01-01

    Strain and temperature induced tunability in the thermoelectric properties in monolayer MoS 2 (ML-MoS 2 ) has been demonstrated using density functional theory coupled to semi-classical Boltzmann transport theory. Compressive strain, in general and uniaxial compressive strain (along the zig-zag direction), in particular, is found to be most effective in enhancing the thermoelectric power factor, owing to the higher electronic mobility and its sensitivity to lattice compression along this direction. Variation in the Seebeck coefficient and electronic band gap with strain is found to follow the Goldsmid–Sharp relation. n-type doping is found to raise the relaxation time-scaled thermoelectric power factor higher than p-type doping and this divide widens with increasing temperature. The relaxation time-scaled thermoelectric power factor in optimally n-doped ML-MoS 2 is found to undergo maximal enhancement under the application of 3% uniaxial compressive strain along the zig-zag direction, when both the ( direct ) electronic band gap and the Seebeck coefficient reach their maximum, while the electron mobility drops down drastically from 73.08 to 44.15 cm 2 V −1 s −1 . Such strain sensitive thermoelectric responses in ML-MoS 2 could open doorways for a variety of applications in emerging areas in 2D-thermoelectrics, such as on-chip thermoelectric power generation and waste thermal energy harvesting. (paper)

  20. Enhanced thermoelectric power in two-dimensional transition metal dichalcogenide monolayers

    KAUST Repository

    Pu, Jiang

    2016-07-27

    The carrier-density-dependent conductance and thermoelectric properties of large-area MoS2 and WSe2 monolayers are simultaneously investigated using the electrolyte gating method. The sign of the thermoelectric power changes across the transistor off-state in the ambipolar WSe2 transistor as the majority carrier density switches from electron to hole. The thermopower and thermoelectric power factor of monolayer samples are one order of magnitude larger than that of bulk materials, and their carrier-density dependences exhibit a quantitative agreement with the semiclassical Mott relation based on the two-dimensional energy band structure, concluding the thermoelectric properties are enhanced by the low-dimensional effect.

  1. Thermoelectric properties by high temperature annealing

    Science.gov (United States)

    Ren, Zhifeng (Inventor); Chen, Gang (Inventor); Kumar, Shankar (Inventor); Lee, Hohyun (Inventor)

    2009-01-01

    The present invention generally provides methods of improving thermoelectric properties of alloys by subjecting them to one or more high temperature annealing steps, performed at temperatures at which the alloys exhibit a mixed solid/liquid phase, followed by cooling steps. For example, in one aspect, such a method of the invention can include subjecting an alloy sample to a temperature that is sufficiently elevated to cause partial melting of at least some of the grains. The sample can then be cooled so as to solidify the melted grain portions such that each solidified grain portion exhibits an average chemical composition, characterized by a relative concentration of elements forming the alloy, that is different than that of the remainder of the grain.

  2. Thermoelectric properties of doped BaHfO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Dixit, Chandra Kr., E-mail: ckparadise@gmail.com, E-mail: sharmarameshfgiet@gmail.com [Dept. of Physics, Dr. Shakuntala Misra National Rehabilitation University, Lucknow-229001, U.P India (India); Bhamu, K. C. [Department of Physics, Goa University, Goa-403 206 (India); Sharma, Ramesh, E-mail: ckparadise@gmail.com, E-mail: sharmarameshfgiet@gmail.com [Dept. of Physics, Feroze Gandhi Institute of Engineering & Technology, Raebareli-229001, U.P India (India)

    2016-05-06

    We have studied the structural stability, electronic structure, optical properties and thermoelectric properties of doped BaHfO{sub 3} by full potential linearized augmented plane wave (FP-LAPW) method. The electronic structure of BaHfO{sub 3} doped with Sr shows enhances the indirect band gaps of 3.53 eV, 3.58 eV. The charge density plots show strong ionic bonding in Ba-Hf, and ionic and covalent bonding between Hf and O. Calculations of the optical spectra, viz., the dielectric function, refractive index and extinction coefficient are performed for the energy range are calculated and analyzed. Thermoelectric properties of semi conducting are also reported first time. The doped BaHfO{sub 3} is approximately wide band gap semiconductor with the large p-type Seebeck coefficient. The power factor of BaHfO{sub 3} is increased with Sr doping, decreases because of low electrical resistivity and thermal conductivity.

  3. Thermoelectric performance enhancement of SrTiO3 by Pr doping

    KAUST Repository

    Kahaly, M. Upadhyay; Schwingenschlö gl, Udo

    2014-01-01

    We investigate Pr doping at the Sr site as a possible route to enhance the thermoelectric behavior of SrTiO3-based materials, using first principles calculations in full-potential density functional theory. The effects of the Pr dopant on the local electronic structure and resulting transport properties are compared to common Nb doping. We demonstrate a substantial enhancement of the thermoelectric figure of merit and develop an explanation for the positive effects, which opens new ways for materials optimization by substitutional doping at the perovskite B site. © 2014 the Partner Organisations.

  4. Thermoelectric Properties of the XCoSb (X: Ti,Zr,Hf) Half-Heusler Alloys

    KAUST Repository

    Gandi, Appala

    2017-09-18

    We investigate the thermoelectric properties of the half-Heusler alloys XCoSb (X: Ti,Zr,Hf) by solving Boltzmann transport equations and discuss them in terms of the electronic band structure. The rigid band approximation is employed to address the effects of doping. While many half-Heuser alloys show excellent thermoelectric performance, the materials under study are special by supporting both n- and p-doping. We identify the reasons for this balanced thermoelectric transport and explain why experimentally p-doping is superior to n-doping. We also determine the spectrum of phonon mean free paths to guide grain refinement methods to enhance the thermoelectric figure of merit.

  5. Theoretical study of defects Cu{sub 3}SbSe{sub 4}: Search for optimum dopants for enhancing thermoelectric properties

    Energy Technology Data Exchange (ETDEWEB)

    Do, Dat T., E-mail: dodat@msu.edu; Mahanti, S.D., E-mail: mahanti@pa.msu.edu

    2015-03-15

    Highlights: • We present the first systematic study of defects in Cu{sub 3}SbSe{sub 4}. • Possible n-type and p-type dopants are suggested for Cu and Sb site. • Transition-metal substitutions on Sb potentially improve thermoelectric properties. • Transition-metal substitutions on Se strongly distort local crystal geometry. • p-type behavior of as synthesized Cu{sub 3}SbSe{sub 4} is most likely due to Cu. - Abstract: Cu{sub 3}SbSe{sub 4} is a promising thermoelectric material due to high thermopower (>400μV/K) at 300 K and higher. Although it has a simple crystal structure derived from zinc blende structure, previous work has shown that the physics of band gap formation is quite subtle due to the importance of active lone pair (5s{sup 2}) of Sb and the non-local exchange interaction between these and Se 5p electrons. Since for any application of semiconductors understanding the properties of defects is essential, we discuss the results of a systematic study of several point defects in Cu{sub 3}SbSe{sub 4} including vacancies and substitutions for each of the components. First principles calculations using density functional theory show that among variety of possible dopants, p-type doping can be done by substituting Sb with group IV elements including Sn, Ge, Pb and Ti and n-type doping can be done by replacing Cu by Mg, Zn. Doping at the Se site appears to be rather difficult. Electronic structure calculations also suggest that the p-type behavior seen in nominally pure Cu{sub 3}SbSe{sub 4} is most likely due to Cu vacancy rather than Se vacancy.

  6. Interference enhanced thermoelectricity in quinoid type structures

    Energy Technology Data Exchange (ETDEWEB)

    Strange, M., E-mail: strange@chem.ku.dk; Solomon, G. C. [Nano-Science Center and Department of Chemistry, University of Copenhagen, Universitetsparken 5, 2100 Copenhagen Ø (Denmark); Seldenthuis, J. S.; Verzijl, C. J. O.; Thijssen, J. M. [Kavli Institute of Nanoscience, Delft University of Technology, 2628 CJ Delft (Netherlands)

    2015-02-28

    Quantum interference (QI) effects in molecular junctions may be used to obtain large thermoelectric responses. We study the electrical conductance G and the thermoelectric response of a series of molecules featuring a quinoid core using density functional theory, as well as a semi-empirical interacting model Hamiltonian describing the π-system of the molecule which we treat in the GW approximation. Molecules with a quinoid type structure are shown to have two distinct destructive QI features close to the frontier orbital energies. These manifest themselves as two dips in the transmission, that remain separated, even when either electron donating or withdrawing side groups are added. We find that the position of the dips in the transmission and the frontier molecular levels can be chemically controlled by varying the electron donating or withdrawing character of the side groups as well as the conjugation length inside the molecule. This feature results in a very high thermoelectric power factor S{sup 2}G and figure of merit ZT, where S is the Seebeck coefficient, making quinoid type molecules potential candidates for efficient thermoelectric devices.

  7. Thermoelectric properties of IV–VI-based heterostructures and superlattices

    Energy Technology Data Exchange (ETDEWEB)

    Borges, P.D., E-mail: pabloborges@ufv.br [Instituto de Ciências Exatas e Tec., Universidade Federal de Viçosa, Rio Paranaíba, MG (Brazil); Department of Physics, Texas State University, San Marcos, TX 78666 (United States); Petersen, J.E.; Scolfaro, L. [Department of Physics, Texas State University, San Marcos, TX 78666 (United States); Leite Alves, H.W. [Departamento de Ciências Naturais, Universidade Federal de São João Del Rei, Caixa Postal 110, São João Del Rei 36300-000, MG (Brazil); Myers, T.H. [Department of Physics, Texas State University, San Marcos, TX 78666 (United States)

    2015-07-15

    Doping in a manner that introduces anisotropy in order to reduce thermal conductivity is a significant focus in thermoelectric research today. By solving the semiclassical Boltzmann transport equations in the constant scattering time (τ) approximation, in conjunction with ab initio electronic structure calculations, within Density Functional Theory, we compare the Seebeck coefficient (S) and figure of merit (ZT) of bulk PbTe to PbTe/SnTe/PbTe heterostructures and PbTe doping superlattices (SLs) with periodically doped planes. Bismuth and Thallium were used as the n- and p-type impurities, respectively. The effects of carrier concentration are considered via chemical potential variation in a rigid band approximation. The impurity bands near the Fermi level in the electronic structure of PbTe SLs are of Tl s- and Bi p-character, and this feature is independent of the doping concentration or the distance between impurity planes. We observe the impurity bands to have a metallic nature in the directions perpendicular to the doping planes, yet no improvement on the values of ZT is found when compared to bulk PbTe. For the PbTe/SnTe/PbTe heterostructures, the calculated S presents good agreement with recent experimental data, and an anisotropic behavior is observed for low carrier concentrations (n<10{sup 18} cm{sup −3}). A large value of ZT{sub ||} (parallel to the growth direction) of 3.0 is predicted for n=4.7×10{sup 18} cm{sup −3} and T=700 K, whereas ZT{sub p} (perpendicular to the growth direction) is found to peak at 1.5 for n=1.7×10{sup 17} cm{sup −3}. Both electrical conductivity enhancement and thermal conductivity reduction are analyzed. - Graphical abstract: Figure of merit for PbTe/SnTe/PbTe heterostructure along the [0 0 1] direction, P.D. Borges, J.E. Petersen, L. Scolfaro, H.W. Leite Alves, T.H. Myers, Improved thermoelectric properties of IV–VI-based heterostructures and superlattices. - Highlights: • Thermoelectric properties of IV

  8. Thermoelectric properties of low-dimensional clathrates from first principles

    Science.gov (United States)

    Kasinathan, Deepa; Rosner, Helge

    2011-03-01

    Type-I inorganic clathrates are host-guest structures with the guest atoms trapped in the framework of the host structure. From a thermoelectric point of view, they are interesting because they are semiconductors with adjustable bandgaps. Investigations in the past decade have shown that type-I clathrates X8 Ga 16 Ge 30 (X = Ba, Sr, Eu) may have the unusual property of ``phonon glass-electron crystal'' for good thermoelectric materials. Among the known clathrates, Ba 8 Ga 16 Ge 30 has the highest figure of merit (ZT~1). To enable a more widespread usage of thermoelectric technology power generation and heating/cooling applications, ZT of at least 2-3 is required. Two different research approaches have been proposed for developing next generation thermoelectric materials: one investigating new families of advanced bulk materials, and the other studying low-dimensional materials. In our work, we concentrate on understanding the thermoelectric properties of the nanostructured Ba-based clathrates. We use semi-classical Boltzmann transport equations to calculate the various thermoelectric properties as a function of reduced dimensions. We observe that there exists a delicate balance between the electrical conductivity and the electronic part of the thermal conductivity in reduced dimensions. Insights from these results can directly be used to control particle size in nanostructuring experiments.

  9. Low-Temperature Thermoelectric Properties of Fe2VAl with Partial Cobalt Doping

    Science.gov (United States)

    Liu, Chang; Morelli, Donald T.

    2012-06-01

    Ternary metallic alloy Fe2VAl with a pseudogap in its energy band structure has received intensive scrutiny for potential thermoelectric applications. Due to the sharp change in the density of states profile near the Fermi level, interesting transport properties can be triggered to render possible enhancement in the overall thermoelectric performance. Previously, this full-Heusler-type alloy was partially doped with cobalt at the iron sites to produce a series of compounds with n-type conductivity. Their thermoelectric properties in the temperature range of 300 K to 850 K were reported. In this research, efforts were made to extend the investigation on (Fe1- x Co x )2VAl to the low-temperature range. Alloy samples were prepared by arc-melting and annealing. Seebeck coefficient, electrical resistivity, and thermal conductivity measurements were performed from 80 K to room temperature. The effects of cobalt doping on the material's electronic and thermal properties are discussed.

  10. Electronic, phononic, and thermoelectric properties of graphyne sheets

    International Nuclear Information System (INIS)

    Sevinçli, Hâldun; Sevik, Cem

    2014-01-01

    Electron, phonon, and thermoelectric transport properties of α-, β-, γ-, and 6,6,12-graphyne sheets are compared and contrasted with those of graphene. α-, β-, and 6,6,12-graphynes, with direction dependent Dirac dispersions, have higher electronic transmittance than graphene. γ-graphyne also attains better electrical conduction than graphene except at its band gap. Vibrationally, graphene conducts heat much more efficiently than graphynes, a behavior beyond an atomic density differences explanation. Seebeck coefficients of the considered Dirac materials are similar but thermoelectric power factors decrease with increasing effective speeds of light. γ-graphyne yields the highest thermoelectric efficiency with a thermoelectric figure of merit as high as ZT = 0.45, almost an order of magnitude higher than that of graphene

  11. Accuracy and Metrological Reliability Enhancing of Thermoelectric Transducers

    Directory of Open Access Journals (Sweden)

    Bogdan Stadnyk

    2010-12-01

    Full Text Available This article is devoted to development and use of thermoelectric thermotransducers with an enhanced accuracy and metrological reliability. The actuality of a problem is stipulated. Investigating changes at typical external environments, the mechanisms of transformation function instability are considered; possibilities of thermodynamic presentation use are analyzed concerning a thermometric substance. The algorithm of thermotransducer instrumental errors’ minimization is developed.

  12. Enhanced thermoelectric power in two-dimensional transition metal dichalcogenide monolayers

    KAUST Repository

    Pu, Jiang; Kanahashi, Kaito; Cuong, Nguyen Thanh; Chen, Chang-Hsiao; Li, Lain-Jong; Okada, Susumu; Ohta, Hiromichi; Takenobu, Taishi

    2016-01-01

    The carrier-density-dependent conductance and thermoelectric properties of large-area MoS2 and WSe2 monolayers are simultaneously investigated using the electrolyte gating method. The sign of the thermoelectric power changes across the transistor

  13. A study on heat transfer enhancement using flow channel inserts for thermoelectric power generation

    International Nuclear Information System (INIS)

    Lesage, Frédéric J.; Sempels, Éric V.; Lalande-Bertrand, Nathaniel

    2013-01-01

    Highlights: • Thermal enhancement in a thermoelectric liquid generator is tested. • Thermal enhancement is brought upon by flow impeding inserts. • CFD simulations attribute thermal enhancement to velocity field alterations. • Thermoelectric power enhancement is measured and discussed. • Power enhancement relative to adverse pressure drop is investigated. - Abstract: Thermoelectric power production has many potential applications that range from microelectronics heat management to large scale industrial waste-heat recovery. A low thermoelectric conversion efficiency of the current state of the art prevents wide spread use of thermoelectric modules. The difficulties lie in material conversion efficiency, module design, and thermal system management. The present study investigates thermoelectric power improvement due to heat transfer enhancement at the channel walls of a liquid-to-liquid thermoelectric generator brought upon by flow turbulating inserts. Care is taken to measure the adverse pressure drop due to the presence of flow impeding obstacles in order to measure the net thermoelectric power enhancement relative to an absence of inserts. The results illustrate the power enhancement performance of three different geometric forms fitted into the channels of a thermoelectric generator. Spiral inserts are shown to offer a minimal improvement in thermoelectric power production whereas inserts with protruding panels are shown to be the most effective. Measurements of the thermal enhancement factor which represents the ratio of heat flux into heat flux out of a channel and numerical simulations of the internal flow velocity field attribute the thermal enhancement resulting in the thermoelectric power improvement to thermal and velocity field synergy

  14. Thermoelectric enhancement at low temperature in nonstoichiometric lead-telluride compounds

    International Nuclear Information System (INIS)

    Wang Heng; Li Jingfeng; Kita, Takuji

    2007-01-01

    Pb 1.17 Te thermoelectric polycrystalline materials were fabricated by mechanical alloying (MA) and spark plasma sintering (SPS). The property measurement and microstructural characterization showed that the present material has special features different from traditional Pb 1+x Te ingots with secondary Pb phase. An attractive enhancement of the thermoelectric figure of merit ZT = 0.64 was obtained at 450 K, with a low thermal conductivity of 1.11 W m -1 K -1 at this temperature. Transmission electron microscopy observation showed the existence of randomly dispersed nano features that are responsible for such enhancement, some of which are similar to the nanostructures reported in the AgPb m SbTe m+2 system. The origin of these regions is discussed and their influence on thermal conductivity is revealed. The results confirm the effectiveness of such a kind of nano feature in improving thermoelectric properties, especially in reducing thermal conductivity. They also indicate a new way of obtaining thermoelectric materials with such a kind of nano feature via MA and SPS

  15. Characterization of nanometer-thick polycrystalline silicon with phonon-boundary scattering enhanced thermoelectric properties and its application in infrared sensors.

    Science.gov (United States)

    Zhou, Huchuan; Kropelnicki, Piotr; Lee, Chengkuo

    2015-01-14

    Although significantly reducing the thermal conductivity of silicon nanowires has been reported, it remains a challenge to integrate silicon nanowires with structure materials and electrodes in the complementary metal-oxide-semiconductor (CMOS) process. In this paper, we investigated the thermal conductivity of nanometer-thick polycrystalline silicon (poly-Si) theoretically and experimentally. By leveraging the phonon-boundary scattering, the thermal conductivity of 52 nm thick poly-Si was measured as low as around 12 W mK(-1) which is only about 10% of the value of bulk single crystalline silicon. The ZT of n-doped and p-doped 52 nm thick poly-Si was measured as 0.067 and 0.024, respectively, while most previously reported data had values of about 0.02 and 0.01 for a poly-Si layer with a thickness of 0.5 μm and above. Thermopile infrared sensors comprising 128 pairs of thermocouples made of either n-doped or p-doped nanometer-thick poly-Si strips in a series connected by an aluminium (Al) metal interconnect layer are fabricated using microelectromechanical system (MEMS) technology. The measured vacuum specific detectivity (D*) of the n-doped and p-doped thermopile infrared (IR) sensors are 3.00 × 10(8) and 1.83 × 10(8) cm Hz(1/2) W(-1) for sensors of 52 nm thick poly-Si, and 5.75 × 10(7) and 3.95 × 10(7) cm Hz(1/2) W(-1) for sensors of 300 nm thick poly-Si, respectively. The outstanding thermoelectric properties indicate our approach is promising for diverse applications using ultrathin poly-Si technology.

  16. Effect of local atomic and electronic structures on thermoelectric properties of chemically substituted CoSi

    Science.gov (United States)

    Hsu, C. C.; Pao, C. W.; Chen, J. L.; Chen, C. L.; Dong, C. L.; Liu, Y. S.; Lee, J. F.; Chan, T. S.; Chang, C. L.; Kuo, Y. K.; Lue, C. S.

    2014-05-01

    We report the effects of Ge partial substitution for Si on local atomic and electronic structures of thermoelectric materials in binary compound cobalt monosilicides (\\text{CoSi}_{1-x}\\text{Ge}_{x}\\text{:}\\ 0 \\le x \\le 0.15 ). Correlations between local atomic/electronic structure and thermoelectric properties are investigated by means of X-ray absorption spectroscopy. The spectroscopic results indicate that as Ge is partially substituted onto Si sites at x \\le 0.05 , Co in CoSi1-xGex gains a certain amount of charge in its 3d orbitals. Contrarily, upon further replacing Si with Ge at x \\ge 0.05 , the Co 3d orbitals start to lose some of their charge. Notably, thermopower is strongly correlated with charge redistribution in the Co 3d orbital, and the observed charge transfer between Ge and Co is responsible for the variation of Co 3d occupancy number. In addition to Seebeck coefficient, which can be modified by tailoring the Co 3d states, local lattice disorder may also be beneficial in enhancing the thermoelectric properties. Extended X-ray absorption fine structure spectrum results further demonstrate that the lattice phonons can be enhanced by Ge doping, which results in the formation of the disordered Co-Co pair. Improvements in the thermoelectric properties are interpreted based on the variation of local atomic and electronic structure induced by lattice distortion through chemical substitution.

  17. Thermoelectric properties and nonstoichiometry of GaGeTe

    Czech Academy of Sciences Publication Activity Database

    Drašar, Č.; Kucek, V.; Beneš, L.; Lošťák, P.; Vlček, Milan

    2012-01-01

    Roč. 193, SI (2012), s. 42-46 ISSN 0022-4596 Institutional research plan: CEZ:AV0Z40500505 Keywords : gallium germanium telluride * thermoelectric properties * stoichiometry Subject RIV: CA - Inorganic Chemistry Impact factor: 2.040, year: 2012

  18. A Review of SnSe: Growth and Thermoelectric Properties

    Science.gov (United States)

    Nguyen, Van Quang; Kim, Jungdae; Cho, Sunglae

    2018-04-01

    SnSe is a 2D semiconductor with an indirect energy gap of 0.86 - 1 eV; it is widely used in solar cell, optoelectronics, and electronic device applications. Recently, SnSe has been considered as a robust candidate for energy conversion applications due to its high thermoelectric performance ( ZT = 2.6 in p-type and 2.2 in n-type), which is assigned mainly to its anhamornic bonding leading to an ultralow thermal conductivity. In this review, we first discuss the crystalline and electronic structures of SnSe and the source of its p-type characteristic. Then, some typical single crystal and polycrystal growth techniques, as well as an epitaxial thin film growth technique, are outlined. The reported thermoelectric properties of SnSe grown by using each technique are also reviewed. Finally, we will describe some remaining issues concerning the use of SnSe for thermoelectric applications.

  19. Ab initio study of thermoelectric properties of doped SnO{sub 2} superlattices

    Energy Technology Data Exchange (ETDEWEB)

    Borges, P.D., E-mail: pdborges@gmail.com [Instituto de Ciências Exatas e Tecnológicas, Universidade Federal de Viçosa, 38810-000 Rio Paranaíba, MG (Brazil); Silva, D.E.S.; Castro, N.S.; Ferreira, C.R.; Pinto, F.G.; Tronto, J. [Instituto de Ciências Exatas e Tecnológicas, Universidade Federal de Viçosa, 38810-000 Rio Paranaíba, MG (Brazil); Scolfaro, L. [Department of Physics, Texas State University, 78666 San Marcos, TX (United States)

    2015-11-15

    Transparent conductive oxides, such as tin dioxide (SnO{sub 2}), have recently shown to be promising materials for thermoelectric applications. In this work we studied the thermoelectric properties of Fe-, Sb- and Zn-uniformly doping and co-doping SnO{sub 2}, as well as of Sb and Zn planar (or delta)-doped layers in SnO{sub 2} forming oxide superlattices (SLs). Based on the semiclassical Boltzmann transport equations (BTE) in conjunction with ab initio electronic structure calculations, the Seebeck coefficient (S) and figure of merit (ZT) are obtained for these systems, and are compared with available experimental data. The delta doping approach introduces a remarkable modification in the electronic structure of tin dioxide, when compared with the uniform doping, and colossal values for ZT are predicted for the delta-doped oxide SLs. This result is a consequence of the two-dimensional electronic confinement and the strong anisotropy introduced by the doped planes. In comparison with the uniformly doped systems, our predictions reveal a promising use of delta-doped SnO{sub 2} SLs for enhanced S and ZT, which emerge as potential candidates for thermoelectric applications. - Graphical abstract: Band structure and Figure of merit for SnO2:Sb superlattice along Z direction, P. D. Borges, D. E. S. Silva, N. S. Castro, C. R. Ferreira, F. G. Pinto, J. Tronto and L. Scolfaro, Ab initio study of thermoelectric properties of doped SnO2 superlattices. - Highlights: • Thermoelectric properties of SnO{sub 2}-based alloys and superlattices. • High figure of merit is predicted for planar-doped SnO{sub 2} superlattices. • Nanotechnology has an important role for the development of thermoelectric devices.

  20. Ab initio study of thermoelectric properties of doped SnO_2 superlattices

    International Nuclear Information System (INIS)

    Borges, P.D.; Silva, D.E.S.; Castro, N.S.; Ferreira, C.R.; Pinto, F.G.; Tronto, J.; Scolfaro, L.

    2015-01-01

    Transparent conductive oxides, such as tin dioxide (SnO_2), have recently shown to be promising materials for thermoelectric applications. In this work we studied the thermoelectric properties of Fe-, Sb- and Zn-uniformly doping and co-doping SnO_2, as well as of Sb and Zn planar (or delta)-doped layers in SnO_2 forming oxide superlattices (SLs). Based on the semiclassical Boltzmann transport equations (BTE) in conjunction with ab initio electronic structure calculations, the Seebeck coefficient (S) and figure of merit (ZT) are obtained for these systems, and are compared with available experimental data. The delta doping approach introduces a remarkable modification in the electronic structure of tin dioxide, when compared with the uniform doping, and colossal values for ZT are predicted for the delta-doped oxide SLs. This result is a consequence of the two-dimensional electronic confinement and the strong anisotropy introduced by the doped planes. In comparison with the uniformly doped systems, our predictions reveal a promising use of delta-doped SnO_2 SLs for enhanced S and ZT, which emerge as potential candidates for thermoelectric applications. - Graphical abstract: Band structure and Figure of merit for SnO2:Sb superlattice along Z direction, P. D. Borges, D. E. S. Silva, N. S. Castro, C. R. Ferreira, F. G. Pinto, J. Tronto and L. Scolfaro, Ab initio study of thermoelectric properties of doped SnO2 superlattices. - Highlights: • Thermoelectric properties of SnO_2-based alloys and superlattices. • High figure of merit is predicted for planar-doped SnO_2 superlattices. • Nanotechnology has an important role for the development of thermoelectric devices.

  1. High Temperature Thermoelectric Properties of ZnO Based Materials

    DEFF Research Database (Denmark)

    Han, Li

    of the dopants and dopant concentrations, a large power factor was obtainable. The sample with the composition of Zn0.9Cd0.1Sc0.01O obtained the highest zT ∼0.3 @1173 K, ~0.24 @1073K, and a good average zT which is better than the state-of-the-art n-type thermoelectric oxide materials. Meanwhile, Sc-doped Zn......This thesis investigated the high temperature thermoelectric properties of ZnO based materials. The investigation first focused on the doping mechanisms of Al-doped ZnO, and then the influence of spark plasma sintering conditions on the thermoelectric properties of Al, Ga-dually doped Zn......O. Following that, the nanostructuring effect for Al-doped ZnO was systematically investigated using samples with different microstructure morphologies. At last, the newly developed ZnCdO materials with superior thermoelectric properties and thermal stability were introduced as promising substitutions...

  2. Thermoelectric Properties of Two-Dimensional Molybdenum-based MXenes

    KAUST Repository

    Kim, Hyunho

    2017-07-05

    MXenes are an interesting class of 2D materials consisting of transition metal carbides and nitrides, which are currently a subject of extensive studies. Although there have been theoretical calculations estimating the thermoelectric properties of MXenes, no experimental measurements have been reported so far. In this report, three compositions of Mo-based MXenes (Mo2CTx, Mo2TiC2Tx, and Mo2Ti2C3Tx) have been synthesized and processed into free-standing binder-free papers by vacuum-assisted filtration, and their electrical and thermoelectric properties are measured. Upon heating to 800 K, these MXene papers exhibit high conductivity and n-type Seebeck coefficient. The thermoelectric power reaches 3.09×10-4 W m-1 K-2 at 803 K for the Mo2TiC2Tx MXene. While the thermoelectric properties of MXenes do not reach that of the best materials, they exceed their parent ternary and quaternary layered carbides. Mo2TiC2Tx shows the highest electrical conductivity in combination with the largest Seebeck coefficient of the three 2D materials studied.

  3. Impact of energy filtering and carrier localization on the thermoelectric properties of granular semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Narducci, Dario, E-mail: dario.narducci@unimib.it [Department of Materials Science, University of Milano Bicocca, via Cozzi 53, 20125 Milano (Italy); Consorzio DeltaTi Research (Italy); Selezneva, Ekaterina [Department of Materials Science, University of Milano Bicocca, via Cozzi 53, 20125 Milano (Italy); Cerofolini, Gianfranco [Department of Materials Science, University of Milano Bicocca, via Cozzi 53, 20125 Milano (Italy); Consorzio DeltaTi Research (Italy); Frabboni, Stefano; Ottaviani, Giampiero [Department of Physics, University of Modena and Reggio Emilia, via Campi 213, 41100 Modena (Italy)

    2012-09-15

    Energy filtering has been widely considered as a suitable tool to increase the thermoelectric performances of several classes of materials. In its essence, energy filtering provides a way to increase the Seebeck coefficient by introducing a strongly energy-dependent scattering mechanism. Under certain conditions, however, potential barriers may lead to carrier localization, that may also affect the thermoelectric properties of a material. A model is proposed, actually showing that randomly distributed potential barriers (as those found, e.g., in polycrystalline films) may lead to the simultaneous occurrence of energy filtering and carrier localization. Localization is shown to cause a decrease of the actual carrier density that, along with the quantum tunneling of carriers, may result in an unexpected increase of the power factor with the doping level. The model is corroborated toward experimental data gathered by several authors on degenerate polycrystalline silicon and lead telluride. - Graphical abstract: In heavily doped semiconductors potential barriers may lead to both carrier energy filtering and localization. This may lead to an enhancement of the thermoelectric properties of the material, resulting in an unexpected increase of the power factor with the doping level. Highlights: Black-Right-Pointing-Pointer Potential barriers are shown to lead to carrier localization in thermoelectric materials. Black-Right-Pointing-Pointer Evidence is put forward of the formation of a mobility edge. Black-Right-Pointing-Pointer Energy filtering and localization may explain the enhancement of power factor in degenerate semiconductors.

  4. Enhanced high temperature thermoelectric response of sulphuric acid treated conducting polymer thin films

    KAUST Repository

    Sarath Kumar, S. R.; Kurra, Narendra; Alshareef, Husam N.

    2015-01-01

    We report the high temperature thermoelectric properties of solution processed pristine and sulphuric acid treated poly(3, 4-ethylenedioxythiophene):poly(4-styrenesulfonate) (or PEDOT:PSS) films. The acid treatment is shown to simultaneously enhance the electrical conductivity and Seebeck coefficient of the metal-like films, resulting in a five-fold increase in thermoelectric power factor (0.052 W/m. K ) at 460 K, compared to the pristine film. By using atomic force micrographs, Raman and impedance spectra and using a series heterogeneous model for electrical conductivity, we demonstrate that acid treatment results in the removal of PSS from the films, leading to the quenching of accumulated charge-induced energy barriers that prevent hopping conduction. The continuous removal of PSS with duration of acid treatment also alters the local band structure of PEDOT:PSS, resulting in simultaneous enhancement in Seebeck coefficient.

  5. Low-temperature thermoelectric power factor enhancement by controlling nanoparticle size distribution.

    Science.gov (United States)

    Zebarjadi, Mona; Esfarjani, Keivan; Bian, Zhixi; Shakouri, Ali

    2011-01-12

    Coherent potential approximation is used to study the effect of adding doped spherical nanoparticles inside a host matrix on the thermoelectric properties. This takes into account electron multiple scatterings that are important in samples with relatively high volume fraction of nanoparticles (>1%). We show that with large fraction of uniform small size nanoparticles (∼1 nm), the power factor can be enhanced significantly. The improvement could be large (up to 450% for GaAs) especially at low temperatures when the mobility is limited by impurity or nanoparticle scattering. The advantage of doping via embedded nanoparticles compared to the conventional shallow impurities is quantified. At the optimum thermoelectric power factor, the electrical conductivity of the nanoparticle-doped material is larger than that of impurity-doped one at the studied temperature range (50-500 K) whereas the Seebeck coefficient of the nanoparticle doped material is enhanced only at low temperatures (∼50 K).

  6. Enhanced high temperature thermoelectric response of sulphuric acid treated conducting polymer thin films

    KAUST Repository

    Sarath Kumar, S. R.

    2015-11-24

    We report the high temperature thermoelectric properties of solution processed pristine and sulphuric acid treated poly(3, 4-ethylenedioxythiophene):poly(4-styrenesulfonate) (or PEDOT:PSS) films. The acid treatment is shown to simultaneously enhance the electrical conductivity and Seebeck coefficient of the metal-like films, resulting in a five-fold increase in thermoelectric power factor (0.052 W/m. K ) at 460 K, compared to the pristine film. By using atomic force micrographs, Raman and impedance spectra and using a series heterogeneous model for electrical conductivity, we demonstrate that acid treatment results in the removal of PSS from the films, leading to the quenching of accumulated charge-induced energy barriers that prevent hopping conduction. The continuous removal of PSS with duration of acid treatment also alters the local band structure of PEDOT:PSS, resulting in simultaneous enhancement in Seebeck coefficient.

  7. Significant enhancement of the thermoelectric figure of merit of polycrystalline Si films by reducing grain size

    International Nuclear Information System (INIS)

    Valalaki, K; Nassiopoulou, A G; Vouroutzis, N

    2016-01-01

    The thermoelectric properties of p-type polycrystalline silicon thin films deposited by low pressure chemical vapour deposition (LPCVD) were accurately determined at room temperature and the thermoelectric figure of merit was deduced as a function of film thickness, ranging from 100 to 500 nm. The effect of film thickness on their thermoelectric performance is discussed. More than threefold increase in the thermoelectric figure of merit of the 100 nm thick polysilicon film was observed compared to the 500 nm thick film, reaching a value as high as 0.033. This enhancement is mainly the result of the smaller grain size in the thinner films. With the decrease in grain size the resistivity of the films is increased twofold and electrical conductivity decreased, however the Seebeck coefficient is increased by 30% and the thermal conductivity is decreased eightfold, being mainly at the origin of the increased figure of merit of the 100 nm film. Our experimental results were compared to known theoretical models and the possible mechanisms involved are presented and discussed. (paper)

  8. Enhanced thermoelectric performance with participation of F-electrons in β-Zn4Sb3

    International Nuclear Information System (INIS)

    Liu, Mian; Qin, Xiaoying; Liu, Changsong; Li, Xiyu; Yang, Xiuhui

    2014-01-01

    Highlights: • Find an effective route to enhance the thermoelectric figure of merit of β-Zn 4 Sb 3 . • Provide the corresponding theoretical predictions. • Investigated the effects of doping Ce and Pr in β-Zn 4 Sb 3 . -- Abstract: The effects of rare-earth element impurities Ce and Pr on the electronic structure and thermoelectric properties of β-Zn 4 Sb 3 were investigated by performing self-consistent ab initio electronic structure calculations within density functional theory and solving the Boltzmann transport equations within the relaxation time approximation. The results demonstrated that these rare-earth element impurities with f orbitals could introduce giant sharp resonant peaks in the density of states (DOS) near the host valence band maximum in energy. And these deliberately engineered DOS peaks result in a sharp increase of the room-temperature Seebeck coefficient and power factor from those of impurity-free system by a factor of 100 and 22, respectively. Additionally, with the simultaneous declining of carrier thermal conductivity, a potential 5-fold increase at least with Ce doping and more than 3 times increase with Pr doping in the thermoelectric figure of merit of β-Zn 4 Sb 3 at room temperature are achieved. The effective DOS restructuring strategy opens up new opportunities for thermoelectric power generation and waste heat recovery at large scale

  9. Thermoelectric-figure-of-merit enhancement of silicon-germanium through nanocomposite concept

    Science.gov (United States)

    Wang, Dezhi

    SiGe alloy has been the thermoelectric material element of RTGs (Radioisotope thermoelectric power generators) for more than 20 years because of its good performance at high temperature. It also has a very high potential application in converting exhaust heat into useful electricity, which currently attracts a lot of research interest in the automotive industry where 40% of the energy was rejected as exhaust heat. However, its low conversion efficiency (8%) is a major concern although it is the best in practice. A new concept, namely Si-Ge nanocomposite, was proposed to enhance thermoelectric figure-of-merit. Fast heating pressure sintering was found to be an appropriate synthesizing method and a lab-made direct current-induced hot press system was established. It can reach l200°C within several minutes and many parameters can be controlled. The uniquely designed graphite die assembly can stand l60MPa pressure which is better than the best commercial products (127MPa). Numerous Si-Ge nanocomposite samples were pressed using our DC hot press. Fully dense n-type Si-Ge nanocomposite samples of nanoSi80nanoGe20P were finally obtained. The nanocomposite structure was characterized via XRD, SEM, EDS, and TEM. The proposed nanocomposite structure, dots in a matrix, was observed. Most importantly, the thermoelectric property measurements showed that the Si-Ge nanocomposite of n-type nanoSi80nanoGe20 possessed higher electrical conductivity but lower thermal conductivity, thus a higher ZT than that of n-type nanoSi80microGe20. This result proved that thermoelectric-figure-of-merit enhancement through the nanocomposite concept was the right direction.

  10. Microstructures and thermoelectric properties of GeSbTe based layered compounds

    Energy Technology Data Exchange (ETDEWEB)

    Yan, F.; Zhu, T.J.; Zhao, X.B. [Zhejiang University, State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Hangzhou (China); Dong, S.R. [Zhejiang University, Department of Information and Electronics Engineering, Hangzhou (China)

    2007-08-15

    Microstructures and thermoelectric properties of Ge{sub 1}Sb{sub 2}Te{sub 4} and Ge{sub 2}Sb{sub 2}Te{sub 5} chalcogenide semiconductors have been investigated to explore the possibility of their thermoelectric applications. The phase transformation from the face-centered cubic to hexagonal structure was observed in Ge{sub 2}Sb{sub 2}Te{sub 5} compounds prepared by the melt spinning technique. The Seebeck coefficient and electrical resistivity of the alloys were increased due to the enhanced scattering of charge carriers at grain boundaries. The maximum power factors of the rapidly solidified Ge{sub 1}Sb{sub 2}Te{sub 4} and Ge{sub 2}Sb{sub 2}Te{sub 5} attained 0.975 x 10{sup -3} Wm{sup -1}K{sup -2} at 750 K and 0.767 x 10{sup -3} Wm{sup -1}K{sup -2} at 643 K respectively, higher than those of water quenched counterparts, implying that thermoelectric properties of GeSbTe based layered compounds can be improved by grain refinement. The present results show this class of chalcogenide semiconductors is promising for thermoelectric applications. (orig.)

  11. Edge magnetism impact on electrical conductance and thermoelectric properties of graphenelike nanoribbons

    Science.gov (United States)

    Krompiewski, Stefan; Cuniberti, Gianaurelio

    2017-10-01

    Edge states in narrow quasi-two-dimensional nanostructures determine, to a large extent, their electric, thermoelectric, and magnetic properties. Nonmagnetic edge states may quite often lead to topological-insulator-type behavior. However, another scenario develops when the zigzag edges are magnetic and the time reversal symmetry is broken. In this work we report on the electronic band structure modifications, electrical conductance, and thermoelectric properties of narrow zigzag nanoribbons with spontaneously magnetized edges. Theoretical studies based on the Kane-Mele-Hubbard tight-binding model show that for silicene, germanene, and stanene both the Seebeck coefficient and the thermoelectric power factor are strongly enhanced for energies close to the charge neutrality point. A perpendicular gate voltage lifts the spin degeneracy of energy bands in the ground state with antiparallel magnetized zigzag edges and makes the electrical conductance significantly spin polarized. Simultaneously the gate voltage worsens the thermoelectric performance. Estimated room-temperature figures of merit for the aforementioned nanoribbons can exceed a value of 3 if phonon thermal conductances are adequately reduced.

  12. Thermoelectric Properties of the Chemically Doped Ca3Co4O9 System: A Structural Perspective

    Science.gov (United States)

    Wu, Tao; Tyson, Trevor; Wang, Hsin; Li, Qiang

    2010-03-01

    Cu doped and Y doped [Ca2CoO3][CoO2]1.61 (referred to as Ca3Co4O9) were prepared by solid state reaction. Temperature dependent thermoelectric properties, resistivity (ρ), Seeback coefficient (S) and thermal conductivity (κ), were measured. As seen before, it is found that doping by Cu and Y significantly enhances the thermoelectric properties. In order to understand the origin of these changes in properties in terms of the atomic structure, synchrotron x-ray diffraction and x-ray absorption spectroscopy were applied to probe the change in the average structure and the location of the dopants. The details of the location and coordination of Co and Y in the host lattice and the effect on the figure of merit are discussed. This work is supported by DOE Grant DE-FG02-07ER46402.

  13. Mechanical properties of BixSb2−xTe3 nanostructured thermoelectric material

    International Nuclear Information System (INIS)

    Li, G; Gadelrab, K R; Souier, T; Chiesa, M; Potapov, P L; Chen, G

    2012-01-01

    Research on thermoelectric (TE) materials has been focused on their transport properties in order to maximize their overall performance. Mechanical properties, which are crucial for system reliability, are often overlooked. The recent development of a new class of high-performance, low-dimension thermoelectric materials calls for a better understanding of their mechanical behavior to achieve the desired system reliability. In the present study we investigate the mechanical behavior of nanostructure bulk TE material p-type Bi x Sb 2−x Te 3 by means of nanoindentation and 3D finite element analysis. The Young’s modulus of the material was estimated by the Oliver–Pharr (OP) method and by means of numerically assisted nanoindentation analysis yielding comparable values about 40 GPa. Enhanced hardness and yield strength can be predicted for this nanostructured material. Microstructure is studied and correlation with mechanical properties is discussed. (paper)

  14. Mechanical properties of thermoelectric n-type magnesium silicide synthesized employing in situ spark plasma reaction sintering

    Science.gov (United States)

    Muthiah, Saravanan; Singh, R. C.; Pathak, B. D.; Dhar, Ajay

    2017-07-01

    Thermoelectric devices employing magnesium silicide (Mg2Si) offer an inexpensive and non-toxic solution for green energy generation compared to other existing conventional thermoelectric materials in the mid-temperature range. However, apart from the thermoelectric performance, their mechanical properties are equally important in order to avoid the catastrophic failure of their modules during actual operation. In the present study, we report the synthesis of Mg2Si co-doped with Bi and Sb employing in situ spark plasma reaction sintering and investigate its broad range of mechanical properties. The mechanical properties of the sintered co-doped Mg2Si suggest a significantly enhanced value of hardness ~5.4  ±  0.2 GPa and an elastic modulus ~142.5  ±  6 GPa with a fracture toughness of ~1.71  ±  0.1 MPa  √m. The thermal shock resistance, which is one of the most vital parameter for designing thermoelectric devices, was found to be ~300 W m-1, which is higher than most of the other existing state-of-the-art mid-temperature thermoelectric materials. The friction and wear characteristics of sintered co-doped Mg2Si have been reported for the first time, in order to realize the sustainability of their thermoelectric modules under actual hostile environmental conditions.

  15. Conditions for enhanced performance of segmented thermoelectrics under load

    Science.gov (United States)

    Angst, Sebastian; Wolf, Dietrich E.

    2017-08-01

    The Onsager-de Groot-Callen transport theory is used to investigate the performance of double segmented thermoelectrics as generators. We show that such an inhomogeneous device usually performs worse than predicted by the effective transport coefficients. This is caused by the difference of the open circuit Seebeck voltage and the Seebeck voltage under operating conditions. The electrical current and the related interface Peltier effect cause a self-organization of the temperature profile such that the temperature drop across the material with the higher absolute Seebeck coefficient is reduced. However, including Joule heating we derive conditions for the opposite effect resulting in an enhanced power.

  16. Giant Pressure-Induced Enhancement of Seebeck Coefficient and Thermoelectric Efficiency in SnTe

    Energy Technology Data Exchange (ETDEWEB)

    Baker, Jason; Kumar, Ravhi; Park, Changyong; Kenney-Benson, Curtis; Cornelius, Andrew; Velisavljevic, Nenad (CIW); (LANL); (UNLV)

    2017-10-30

    The thermoelectric properties of polycrystalline SnTe have been measured up to 4.5 GPa at 330 K. SnTe shows an enormous enhancement in Seebeck coefficient, greater than 200 % after 3 GPa, which correlates to a known pressure-induced structural phase transition that is observed through simultaneous in situ X-ray diffraction measurement. Electrical resistance and relative changes to the thermal conductivity were also measured, enabling the determination of relative changes in the dimensionless figure of merit (ZT), which increases dramatically after 3 GPa, reaching 350 % of the lowest pressure ZT value. The results demonstrate a fundamental relationship between structure and thermoelectric behaviours and suggest that pressure is an effective tool to control them.

  17. Enhanced thermoelectric figure of merit in strained Tl-doped Bi2Se3

    KAUST Repository

    Saeed, Y.

    2014-07-21

    We explain recent experimental findings on Tl-doped Bi2Se3 by determining the electronic and transport properties by first-principles calculations and semi-classical Boltzmann theory. Though Tl-doping introduces a momentum-dependent spin-orbit splitting, the effective mass of the carriers is essentially not modified, while the band gap is reduced. Tl is found to be exceptional in this respect as other dopants modify the dispersion, which compromises thermoelectricity. Moreover, we demonstrate that only after Tl-doping strain becomes an efficient tool for enhancing the thermoelectric performance. A high figure of merit of 0.86 is obtained for strong p-doping (7 × 10^20 cm^(−3), maximal power factor) at 500 K under 2% tensile strain.

  18. Plasma synthesis of nanostructures for improved thermoelectric properties

    International Nuclear Information System (INIS)

    Petermann, Nils; Hecht, Christian; Schulz, Christof; Wiggers, Hartmut; Stein, Niklas; Schierning, Gabi; Theissmann, Ralf; Stoib, Benedikt; Brandt, Martin S

    2011-01-01

    The utilization of silicon-based materials for thermoelectrics is studied with respect to the synthesis and processing of doped silicon nanoparticles from gas phase plasma synthesis. It is found that plasma synthesis enables the formation of spherical, highly crystalline and soft-agglomerated materials. We discuss the requirements for the formation of dense sintered bodies, while keeping the crystallite size small. Small particles a few tens of nanometres and below that are easily achievable from plasma synthesis, and a weak surface oxidation, both lead to a pronounced sinter activity about 350 K below the temperature usually needed for the successful densification of silicon. The thermoelectric properties of our sintered materials are comparable to the best results found for nanocrystalline silicon prepared by methods other than plasma synthesis.

  19. Thermoelectric transport properties of high mobility organic semiconductors

    Science.gov (United States)

    Venkateshvaran, Deepak; Broch, Katharina; Warwick, Chris N.; Sirringhaus, Henning

    2016-09-01

    Transport in organic semiconductors has traditionally been investigated using measurements of the temperature and gate voltage dependent mobility of charge carriers within the channel of organic field-effect transistors (OFETs). In such measurements, the behavior of charge carrier mobility with temperature and gate voltage, studied together with carrier activation energies, provide a metric to quantify the extent of disorder within these van der Waals bonded materials. In addition to the mobility and activation energy, another potent but often-overlooked transport coefficient useful in understanding disorder is the Seebeck coefficient (also known as thermoelectric power). Fundamentally, the Seebeck coefficient represents the entropy per charge carrier in the solid state, and thus proves powerful in distinguishing materials in which charge carriers move freely from those where a high degree of disorder causes the induced carriers to remain trapped. This paper briefly covers the recent highlights in the field of organic thermoelectrics, showing how significant strides have been made both from an applied standpoint as well as from a viewpoint of fundamental thermoelectric transport physics. It shall be illustrated how thermoelectric transport parameters in organic semiconductors can be tuned over a significant range, and how this tunability facilitates an enhanced performance for heat-to-electricity conversion as well as quantifies energetic disorder and the nature of the density of states (DOS). The work of the authors shall be spotlighted in this context, illustrating how Seebeck coefficient measurements in the polymer indacenodithiophene-co-benzothiadiazole (IDTBT) known for its ultra-low degree of torsion within the polymer backbone, has a trend consistent with low disorder. 1 Finally, using examples of the small molecules C8-BTBT and C10-DNTT, it shall be discussed how the Seebeck coefficient can aid the estimation of the density and distribution of trap states

  20. Thermoelectric properties of the misfit cobaltate Ca3Co4O9

    KAUST Repository

    Amin, Bin

    2017-06-09

    The layered misfit cobaltate CaCoO, also known as CaCoO[CoO], is a promising p-type thermoelectric oxide. Employing density functional theory, we study its electronic structure and determine, on the basis of Boltzmann theory within the constant-relaxation-time approximation, the thermoelectric transport coefficients. The dependence on strain and temperature is determined. In particular, we find that the XX-component of the thermopower is strongly enhanced, while the yy-component is strongly reduced, when applying 2% tensile strain. A similar anisotropy is also found in the power factor. The temperature dependence of the conductivity in the a-b plane is found to be rather weak above 200 K, which clearly indicates that the experimentally observed transport properties are dominated by inhomogeneities arising during sample growth, i.e., they are not intrinsic.

  1. Thermoelectric properties of the misfit cobaltate Ca3Co4O9

    KAUST Repository

    Amin, Bin; Eckern, Ulrich; Schwingenschlö gl, Udo

    2017-01-01

    The layered misfit cobaltate CaCoO, also known as CaCoO[CoO], is a promising p-type thermoelectric oxide. Employing density functional theory, we study its electronic structure and determine, on the basis of Boltzmann theory within the constant-relaxation-time approximation, the thermoelectric transport coefficients. The dependence on strain and temperature is determined. In particular, we find that the XX-component of the thermopower is strongly enhanced, while the yy-component is strongly reduced, when applying 2% tensile strain. A similar anisotropy is also found in the power factor. The temperature dependence of the conductivity in the a-b plane is found to be rather weak above 200 K, which clearly indicates that the experimentally observed transport properties are dominated by inhomogeneities arising during sample growth, i.e., they are not intrinsic.

  2. WSi2 in Si(1-x)Ge(x) Composites: Processing and Thermoelectric Properties

    Science.gov (United States)

    Mackey, Jonathan A.; Sehirlioglu, Alp; Dynys, Fred

    2015-01-01

    Traditional SiGe thermoelectrics have potential for enhanced figure of merit (ZT) via nano-structuring with a silicide phase, such as WSi2. A second phase of nano-sized silicides can theoretically reduce the lattice component of thermal conductivity without significantly reducing the electrical conductivity. However, experimentally achieving such improvements in line with the theory is complicated by factors such as control of silicide size during sintering, dopant segregation, matrix homogeneity, and sintering kinetics. Samples were prepared using powder metallurgy techniques; including mechano-chemical alloying, via ball milling, and spark plasma sintering for densification. Processing, micro-structural development, and thermoelectric properties will be discussed. Additionally, couple and device level characterization will be introduced.

  3. Thermoelectric Performance Enhancement by Surrounding Crystalline Semiconductors with Metallic Nanoparticles

    Science.gov (United States)

    Kim, Hyun-Jung; King, Glen C.; Park, Yeonjoon; Lee, Kunik; Choi, Sang H.

    2011-01-01

    Direct conversion of thermal energy to electricity by thermoelectric (TE) devices may play a key role in future energy production and utilization. However, relatively poor performance of current TE materials has slowed development of new energy conversion applications. Recent reports have shown that the dimensionless Figure of Merit, ZT, for TE devices can be increased beyond the state-of-the-art level by nanoscale structuring of materials to reduce their thermal conductivity. New morphologically designed TE materials have been fabricated at the NASA Langley Research Center, and their characterization is underway. These newly designed materials are based on semiconductor crystal grains whose surfaces are surrounded by metallic nanoparticles. The nanoscale particles are used to tailor the thermal and electrical conduction properties for TE applications by altering the phonon and electron transport pathways. A sample of bismuth telluride decorated with metallic nanoparticles showed less thermal conductivity and twice the electrical conductivity at room temperature as compared to pure Bi2Te3. Apparently, electrons cross easily between semiconductor crystal grains via the intervening metallic nanoparticle bridges, but phonons are scattered at the interfacing gaps. Hence, if the interfacing gap is larger than the mean free path of the phonon, thermal energy transmission from one grain to others is reduced. Here we describe the design and analysis of these new materials that offer substantial improvements in thermoelectric performance.

  4. Thermoelectric properties of layered antiferromagnetic CuCrSe2

    International Nuclear Information System (INIS)

    Tewari, Girish C.; Tripathi, T.S.; Yamauchi, Hisao; Karppinen, Maarit

    2014-01-01

    Here we study thermoelectric and magnetic properties of CuCrSe 2 samples sintered at various temperatures. Structural analysis with XRD shows an order-disorder transition for Cr atoms when the sintering temperature is increased above 1273 K. Metal-like electrical resistivity and anomalously large Seebeck coefficient are found about room temperature. Analysis of electrical conductivity and Seebeck coefficient of the partially-disordered phase suggests hopping conduction of charge carriers. For both the ordered and disordered phases magnetic susceptibility follows Curie–Weiss temperature dependence at high temperatures above 150 K and shows an antiferromagnetic transition around 55 K. For the disordered phase, the effective magnetic moment is determined at 3.62 μ B ; this low value in comparison to the spin only value for Cr 3+ of 3.89 μ B indicates spin fluctuations in the paramagnetic state. The thermal conductivity in these phases is low and dominated by the lattice contribution. Values for the thermoelectric figure of merit (ZT) at room temperature are estimated to be 0.17 and 0.05 for the ordered and disordered phases, respectively. - Highlights: • Thermoelectric and magnetic properties of CuCrSe 2 samples are investigated. • The properties strongly depend on the degree of order of chromium atoms. • The degree of order is controlled by the sintering temperature. • Room-temperature figure of merit is estimated at 0.17 for the ordered phase. • For the disordered phase the figure of merit is lower

  5. Thermoelectric properties of atomically thin silicene and germanene nanostructures

    Science.gov (United States)

    Yang, K.; Cahangirov, S.; Cantarero, A.; Rubio, A.; D'Agosta, R.

    2014-03-01

    The thermoelectric properties in one- and two-dimensional silicon and germanium structures have been investigated using first-principles density functional techniques and linear response for the thermal and electrical transport. We have considered here the two-dimensional silicene and germanene, together with nanoribbons of different widths. For the nano ribbons, we have also investigated the possibility of nano structuring these systems by mixing silicon and germanium. We found that the figure of merit at room temperature of these systems is remarkably high, up to 2.5.

  6. Thermoelectric properties of non-stoichiometric lanthanum sulfides

    International Nuclear Information System (INIS)

    Shapiro, E.; Danielson, L.R.

    1983-01-01

    The lanthanum sulfides are promising candidate materials for high-efficiency thermoelectric applications at temperatures up to 1300 0 C. The nonstoichiometric lanthanum sulfides (LaS /SUB x/ , where 1.33 2 //rho/ can be chosen. The thermal conductivity remains approximately constant with stoichiometry, so a material with an optimum value of α 2 //rho/ should possess the optimum figure-of-merit. Data for the Seebeck coefficient and electrical resistivity of non-stoichiometric lanthanum sulfides is presented, together with structural properties of these materials

  7. Contrastive thermoelectric properties of strained SnSe crystals from the first-principles calculations

    Science.gov (United States)

    Tang, Yu; Cheng, Feng; Li, Decong; Deng, Shuping; Chen, Zhong; Sun, Luqi; Liu, Wenting; Shen, Lanxian; Deng, Shukang

    2018-06-01

    SnSe is a promising thermoelectric material with a record high dimensionless figure of merit ZT at high temperature ∼923 K. However, the ZT values for low-Temperature Pnma phase SnSe are just 0.1-0.9. Here, we use First-principle combine with Boltzmann transport theory methods to study the effect of tensile and compressible strain on the thermoelectric transport properties. The power factor of SnSe with -4% strain have a large boost along b and c directions of 7.7 and 3.9 μW cm-1 K-2, respectively, which are 2.5 and 2 times as large as those pristine SnSe. The charge density distributions reveal that the overlap of wave function has significant change due to the changed bond lengths and bond angles under different strain, which lead to the change of band gap and band dispersion. Our work provides a new effective strategy to enhance the thermoelectric properties of materials.

  8. Ab initio description of the thermoelectric properties of heterostructures in the diffusive limit of transport

    DEFF Research Database (Denmark)

    Hinsche, Nicki Frank; Rittweger, Florian; Hölzer, Martin

    2016-01-01

    The scope of this review is to present the recent progress in the understanding of the microscopic origin of thermoelectric transport in semiconducting heterostructures and to identify and elucidate mechanisms which could lead to enhanced thermoelectric conversion efficiency. Based on first-princ...

  9. Temperature dependent thermoelectric properties of chemically derived gallium zinc oxide thin films

    KAUST Repository

    Barasheed, Abeer Z.; Sarath Kumar, S. R.; Alshareef, Husam N.

    2013-01-01

    In this study, the temperature dependent thermoelectric properties of sol-gel prepared ZnO and 3% Ga-doped ZnO (GZO) thin films have been explored. The power factor of GZO films, as compared to ZnO, is improved by nearly 17% at high temperature. A stabilization anneal, prior to thermoelectric measurements, in a strongly reducing Ar/H2 (95/5) atmosphere at 500°C was found to effectively stabilize the chemically derived films, practically eliminating hysteresis during thermoelectric measurements. Subtle changes in the thermoelectric properties of stabilized films have been correlated to oxygen vacancies and excitonic levels that are known to exist in ZnO-based thin films. The role of Ga dopants and defects, formed upon annealing, in driving the observed complex temperature dependence of the thermoelectric properties is discussed. © The Royal Society of Chemistry 2013.

  10. Thermoelectric properties of an interacting quantum dot based heat engine

    Science.gov (United States)

    Erdman, Paolo Andrea; Mazza, Francesco; Bosisio, Riccardo; Benenti, Giuliano; Fazio, Rosario; Taddei, Fabio

    2017-06-01

    We study the thermoelectric properties and heat-to-work conversion performance of an interacting, multilevel quantum dot (QD) weakly coupled to electronic reservoirs. We focus on the sequential tunneling regime. The dynamics of the charge in the QD is studied by means of master equations for the probabilities of occupation. From here we compute the charge and heat currents in the linear response regime. Assuming a generic multiterminal setup, and for low temperatures (quantum limit), we obtain analytical expressions for the transport coefficients which account for the interplay between interactions (charging energy) and level quantization. In the case of systems with two and three terminals we derive formulas for the power factor Q and the figure of merit Z T for a QD-based heat engine, identifying optimal working conditions which maximize output power and efficiency of heat-to-work conversion. Beyond the linear response we concentrate on the two-terminal setup. We first study the thermoelectric nonlinear coefficients assessing the consequences of large temperature and voltage biases, focusing on the breakdown of the Onsager reciprocal relation between thermopower and Peltier coefficient. We then investigate the conditions which optimize the performance of a heat engine, finding that in the quantum limit output power and efficiency at maximum power can almost be simultaneously maximized by choosing appropriate values of electrochemical potential and bias voltage. At last we study how energy level degeneracy can increase the output power.

  11. Thermoelectric transport properties of BaBiTe{sub 3}-based materials

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Yiming; Zhao, Li-Dong, E-mail: zhaolidong@buaa.edu.cn

    2017-05-15

    BaBiTe{sub 3}, a material with low thermal conductivity, is an inferior thermoelectric material due to the poor electrical properties originated from its narrow band gap. We choose two types of dopants, K and La, trying to optimize its electrical transport properties. The minority carriers, which harm the Seebeck coefficient in this system, are suppressed by La doping. With the increase of both electrical conductivity and Seebeck coefficient, the power factor of 3% La doped BaBiTe{sub 3} reaches 3.7 μW cm{sup −1} K{sup −2} which increased by 40% from undoped BaBiTe{sub 3}. Besides high power factor, the thermal conductivity is also reduced in it. Eventually, a high ZT value, 0.25 at 473 K, for n-type BaBiTe{sub 3} is achieved in 3% La doped BaBiTe{sub 3}. - Graphical abstract: BaBiTe{sub 3} possesses a low thermal conductivity. However, it is an inferior thermoelectric material due to the poor electrical properties originated from its narrow band gap. A high ZT value of 0.25 at 473 K for n-type BaBiTe{sub 3} can be achieved through optimizing electrical transport properties via La doping. - Highlights: • BaBiTe{sub 3} is an analogue of these promising thermoelectric materials: such as CsBi{sub 4}Te{sub 6} and K{sub 2}Bi{sub 8}Se{sub 13}, etc. • BaBiTe{sub 3} possesses a low thermal conductivity. • La is an effective dopant to enhance electrical transport properties. • A high ZT value of 0.25 at 473 K can be achieved in n-type La-doped BaBiTe{sub 3}.

  12. Enhancement of thermoelectric figure-of-merit in laterally-coupled nanowire arrays

    International Nuclear Information System (INIS)

    Zhang, Yiqun; Shi, Yi; Pu, Lin; Wang, Junzhuan; Pan, Lijia; Zheng, Youdou

    2011-01-01

    A high ZT value is predicted in laterally-coupled nanowire arrays. The quantum confinement and coupling of electrons are considered in the framework of effective-mass envelope-function theory. The boundary scattering on phonons is also taken into account. The thermoelectric properties benefit from the large Seebeck coefficient and dramatically reduced lattice thermal conductivity, as well as the preserved electronic conductivity in the minibands of the coupling nanowires. The enhancement of ZT to more than 10-fold is achieved in the n-type Si nanowires/Ge host material. Results suggest that the laterally-coupled nanowire arrays can be designed for high-performance thermoelectric devices. -- Highlights: → A high ZT value is predicted in the lateral-coupling nanowire arrays. → The lattice thermal conductivity is dramatically reduced in the lateral direction of nanowire arrays. → The electron transport is preserved in the lateral direction due to the coupling effect. → The ZT value is largely enhanced as the nanowire volume fraction exceeds some critical point.

  13. Rapid characterization of thermoelectric properties of composition spread (La1-xCax)VO3 films

    International Nuclear Information System (INIS)

    Itaka, K.; Wang, Q.J.; Minami, H.; Kawaji, H.; Koinuma, H.

    2004-01-01

    Vanadium oxides possess various interesting properties due to multivalence of a vanadium atom and attract our interest as a target material for the exploration of new applications. We investigated vanadates (La 1-x Ca x )VO 3 with a perovskite structure as thermoelectric (TE) materials because heavy electrons in vanadates are expected to generate large thermopower. To proceed the investigation of thermoelectric properties of the composition spread library more efficiently, we devised a new instrument of multi-channel measurement of their thermoelectric properties. The polarity of Seebeck coefficients changed from positive (0≤x≤0.2) to negative (0.2 3 (x∼0)

  14. About thermo-electric properties of bismuth telluride doped by gadolinium

    International Nuclear Information System (INIS)

    Akperov, M.M.; Ismailov, Sh.S.; Shukyurova, A.A.

    2004-01-01

    Results of study of the Gd impurities effect on the bismuth telluride thermo-electric properties are presented. The experiment was carried out within the temperature range T=300-700 K. It is determined, that at temperature increase the energy level is appreciably closing up to bismuth telluride forbidden zone which makes up 0.16-0.24 eV. Such anomalous energy properties of gadolinium in telluride affect on material thermoelectric properties

  15. Thermoelectric properties of ZnSb films grown by MOCVD

    Energy Technology Data Exchange (ETDEWEB)

    Venkatasubramanian, R; Watko, E; Colpitts, T

    1997-07-01

    The thermoelectric properties of ZnSb films grown by metallorganic chemical vapor deposition (MOCVD) are reported. The growth conditions necessary to obtain stoichiometric ZnSb films and the effects of various growth parameters on the electrical conductivity and Seebeck coefficients of the films are described. The as-grown ZnSb films are p-type. It was observed that the thicker ZnSb films offer improved carrier mobilities and lower free-carrier concentration levels. The Seebeck coefficient of ZnSb films was found to rise rapidly at approximately 160 C. The thicker films, due to the lower doping levels, indicate higher Seebeck coefficients between 25 to 200 C. A short annealing of the ZnSb film at temperatures of {approximately}200 C results in reduced free-carrier level. Thermal conductivity measurements of ZnSb films using the 3-{omega} method are also presented.

  16. Thermoelectric properties and microstructure of Mg3Sb2

    International Nuclear Information System (INIS)

    Condron, Cathie L.; Kauzlarich, Susan M.; Gascoin, Franck; Snyder, G. Jeffrey

    2006-01-01

    Mg 3 Sb 2 has been prepared by direct reaction of the elements. Powder X-ray diffraction, thermal gravimetric, differential scanning calorimetery, and microprobe data were obtained on hot pressed samples. Single phase samples of Mg 3 Sb 2 were prepared and found to contain oxygen at the grain boundaries and to lose Mg and oxidize at temperatures above 900 K. Thermoelectric properties were characterized by Seebeck, electrical resistivity, and thermal conductivity measurements from 300 to 1023 K, and the maximum zT was found to be 0.21 at ∼875 K. - Graphical abstract: Dimensionless figure of merit for Mg 3 Sb 2 hot pressed and sintered at 873 K. The inset illustrates the crystal structure of Mg 3 Sb 2 along the [100] direction (white=Mg, black=Sb)

  17. Thermoelectric properties of P-type Sb2Te3 thick film processed by a screen-printing technique and a subsequent annealing process

    International Nuclear Information System (INIS)

    Kim, Sun Jin; We, Ju Hyung; Kim, Jin Sang; Kim, Gyung Soo; Cho, Byung Jin

    2014-01-01

    Highlights: • We report on thermoelectric properties of screen-printed Sb 2 Te 3 thick film. • Subsequent annealing process determines thermoelectric properties of Sb 2 Te 3 film. • Annealing in tellurium powder ambient contributes to tellurium-rich Sb 2 Te 3 film. • Annealing in tellurium powder ambient enhances carrier mobility of Sb 2 Te 3 film. -- Abstract: We herein report the thermoelectric properties of Sb 2 Te 3 thick film fabricated by a screen-printing technique and a subsequent annealing process. Each step of the screen-printing fabrication process of Sb 2 Te 3 thick film is described in detail. It was found that the subsequent annealing process must be carefully designed to achieve good thermoelectric properties of the screen-printed film. The results show that the annealing of the screen-printed Sb 2 Te 3 thick film together with tellurium powder in the same process chamber significantly improves the carrier mobility by increasing the average scattering time of the carrier in the film, resulting in a large improvement of the power factor. By optimizing the annealing process, we achieved a maximum thermoelectric figure-of-merit, ZT, of 0.32 at room temperature, which is slightly higher than that of bulk Sb 2 Te 3 . Because screen-printing is a simple and low-cost process and given that it is easy to scale up to large sizes, this result will be useful for the realization of large, film-type thermoelectric devices

  18. La 1-x Ca x MnO 3 semiconducting nanostructures: morphology and thermoelectric properties.

    Science.gov (United States)

    Culebras, Mario; Torán, Raquel; Gómez, Clara M; Cantarero, Andrés

    2014-01-01

    Semiconducting metallic oxides, especially perosvkite materials, are great candidates for thermoelectric applications due to several advantages over traditionally metallic alloys such as low production costs and high chemical stability at high temperatures. Nanostructuration can be the key to develop highly efficient thermoelectric materials. In this work, La 1-x Ca x MnO 3 perosvkite nanostructures with Ca as a dopant have been synthesized by the hydrothermal method to be used in thermoelectric applications at room temperature. Several heat treatments have been made in all samples, leading to a change in their morphology and thermoelectric properties. The best thermoelectric efficiency has been obtained for a Ca content of x=0.5. The electrical conductivity and Seebeck coefficient are strongly related to the calcium content.

  19. Enhanced thermoelectric performance with participation of F-electrons in β-Zn{sub 4}Sb{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Mian; Qin, Xiaoying, E-mail: xyqin@issp.ac.cn; Liu, Changsong; Li, Xiyu; Yang, Xiuhui

    2014-01-25

    Highlights: • Find an effective route to enhance the thermoelectric figure of merit of β-Zn{sub 4}Sb{sub 3}. • Provide the corresponding theoretical predictions. • Investigated the effects of doping Ce and Pr in β-Zn{sub 4}Sb{sub 3}. -- Abstract: The effects of rare-earth element impurities Ce and Pr on the electronic structure and thermoelectric properties of β-Zn{sub 4}Sb{sub 3} were investigated by performing self-consistent ab initio electronic structure calculations within density functional theory and solving the Boltzmann transport equations within the relaxation time approximation. The results demonstrated that these rare-earth element impurities with f orbitals could introduce giant sharp resonant peaks in the density of states (DOS) near the host valence band maximum in energy. And these deliberately engineered DOS peaks result in a sharp increase of the room-temperature Seebeck coefficient and power factor from those of impurity-free system by a factor of 100 and 22, respectively. Additionally, with the simultaneous declining of carrier thermal conductivity, a potential 5-fold increase at least with Ce doping and more than 3 times increase with Pr doping in the thermoelectric figure of merit of β-Zn{sub 4}Sb{sub 3} at room temperature are achieved. The effective DOS restructuring strategy opens up new opportunities for thermoelectric power generation and waste heat recovery at large scale.

  20. Effect of doping of N and B atoms on thermoelectric properties of ...

    Indian Academy of Sciences (India)

    In this work, the doping effect on the thermoelectric properties of the C60 molecule ... mopower and thermal conductance of atomic sized metallic contacts, 1D wires, single ..... For negative energies, the sign of thermopower is positive while.

  1. Crystal orientation dependent thermoelectric properties of highly oriented aluminum-doped zinc oxide thin films

    KAUST Repository

    Abutaha, Anas I.; Sarath Kumar, S. R.; Alshareef, Husam N.

    2013-01-01

    We demonstrate that the thermoelectric properties of highly oriented Al-doped zinc oxide (AZO) thin films can be improved by controlling their crystal orientation. The crystal orientation of the AZO films was changed by changing the temperature

  2. Thermoelectric and mechanical properties of spark plasma sintered Cu3SbSe3 and Cu3SbSe4: Promising thermoelectric materials

    Science.gov (United States)

    Tyagi, Kriti; Gahtori, Bhasker; Bathula, Sivaiah; Toutam, Vijaykumar; Sharma, Sakshi; Singh, Niraj Kumar; Dhar, Ajay

    2014-12-01

    We report the synthesis of thermoelectric compounds, Cu3SbSe3 and Cu3SbSe4, employing the conventional fusion method followed by spark plasma sintering. Their thermoelectric properties indicated that despite its higher thermal conductivity, Cu3SbSe4 exhibited a much larger value of thermoelectric figure-of-merit as compared to Cu3SbSe3, which is primarily due to its higher electrical conductivity. The thermoelectric compatibility factor of Cu3SbSe4 was found to be ˜1.2 as compared to 0.2 V-1 for Cu3SbSe3 at 550 K. The results of the mechanical properties of these two compounds indicated that their microhardness and fracture toughness values were far superior to the other competing state-of-the-art thermoelectric materials.

  3. First-principles study of thermoelectric properties of CuI

    International Nuclear Information System (INIS)

    Yadav, Manoj K; Sanyal, Biplab

    2014-01-01

    Theoretical investigations of the thermoelectric properties of CuI have been carried out employing first-principles calculations followed by the calculations of transport coefficients based on Boltzmann transport theory. Among the three different phases of CuI, viz. zinc-blende, wurtzite and rock salt, the thermoelectric power factor is found to be the maximum for the rock salt phase. We have analysed the variations of Seebeck coefficients and thermoelectric power factors on the basis of calculated electronic structures near the valence band maxima of these phases. (papers)

  4. Processing and nanostructure influences on mechanical properties of thermoelectric materials

    Science.gov (United States)

    Schmidt, Robert David

    Thermoelectric (TE) materials are materials that can generate an electric current from a thermal gradient, with possible service in recovery of waste heat such as engine exhaust. Significant progress has been made in improving TE conversion efficiency, typically reported according to the figure of merit, ZT, with several recent papers publishing ZT values above 2. Furthermore, cost reductions may be made by the use of lower cost elements such as Mg, Si, Sn, Pb, Se and S in TE materials, while achieving ZT values between 1.3 and 1.8. To be used in a device, the thermoelectric material must be able to withstand the applied thermal and mechanical forces without failure. However, these materials are brittle, with low fracture toughness typically less than 1.5 MPa-m1/2, and often less than 0.5 MPa-m1/2. For comparison, window glass is approximately 0.75 MPa-m1/2. They have been optimized with nanoprecipitates, nanoparticles, doping, alterations in stoichiometry, powder processing and other techniques, all of which may alter the mechanical properties. In this study, the effect of SiC nanoparticle additions in Mg2Si, SnTe and Ag nanoparticle additions in the skutterudite Ba0.3Co 4Sb12 on the elastic moduli, hardness and fracture toughness are measured. Large changes (˜20%) in the elastic moduli in SnTe 1+x as a function of x at 0 and 0.016 are shown. The effect on mechanical properties of doping and precipitates of CdS or ZnS in a PbS or PbSe matrix have been reported. Changes in sintering behavior of the skutterudite with the Ag nanoparticle additions were explored. Possible liquid phase sintering, with associated benefits in lower processing temperature, faster densification and lower cost, has been shown. A technique has been proposed for determining additional liquid phase sintering aids in other TE materials. The effects of porosity, grain size, powder processing method, and sintering method were explored with YbAl3 and Ba0.3Co4Sb 12, with the porosity dependence of

  5. Effects of ball milling on microstructures and thermoelectric properties of higher manganese silicides

    International Nuclear Information System (INIS)

    Chen, Xi; Shi, Li; Zhou, Jianshi; Goodenough, John B.

    2015-01-01

    Highlights: • The already low κ L of HMS can be suppressed further by decreasing the grain size. • The ball milling process can lead to the formation of secondary MnSi and W/C-rich phases. • The formation of the MnSi ad W/C rich phases is found to suppress the thermoelectric power factor. - Abstract: Bulk nanostructured higher manganese silicide (HMS) samples with different grain size are prepared by melting, subsequent ball milling (BM), and followed by spark plasma sintering (SPS). The effects of BM time on the microstructures and thermoelectric properties of these samples are investigated. It is found that BM effectively reduces the grain size to about 90 nm in the sample after SPS, which leads to a decrease in both the thermal conductivity and electrical conductivity. By prolonging the BM time, MnSi and tungsten/carbon-rich impurity phases are formed due to the impact-induced decomposition of HMS and contamination from the tungsten carbide jar and balls during the BM, respectively. These impurities result in a reduced Seebeck coefficient and increased thermal conductivity above room temperature. The measured size-dependent lattice thermal conductivities agree qualitatively with the reported calculation results based on a combined phonon and diffuson model. The size effects are found to be increasingly significant as temperature decreases. Because of the formation of the impurity phases and a relatively large grain size, the ZT values are not improved in the ball-milled HMS samples. These findings suggest the need of alternative approaches for the synthesis of pure HMS with further reduced grain size and controlled impurity doping in order to enhance the thermoelectric figure-of-merit of HMS via nanostructuring

  6. Effects of ball milling on microstructures and thermoelectric properties of higher manganese silicides

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Xi [Materials Science and Engineering Program, Texas Materials Institute, The University of Texas at Austin, Austin, TX 78712 (United States); Shi, Li, E-mail: lishi@mail.utexas.edu [Materials Science and Engineering Program, Texas Materials Institute, The University of Texas at Austin, Austin, TX 78712 (United States); Department of Mechanical Engineering, The University of Texas at Austin, Austin, TX 78712 (United States); Zhou, Jianshi; Goodenough, John B. [Materials Science and Engineering Program, Texas Materials Institute, The University of Texas at Austin, Austin, TX 78712 (United States); Department of Mechanical Engineering, The University of Texas at Austin, Austin, TX 78712 (United States)

    2015-08-25

    Highlights: • The already low κ{sub L} of HMS can be suppressed further by decreasing the grain size. • The ball milling process can lead to the formation of secondary MnSi and W/C-rich phases. • The formation of the MnSi ad W/C rich phases is found to suppress the thermoelectric power factor. - Abstract: Bulk nanostructured higher manganese silicide (HMS) samples with different grain size are prepared by melting, subsequent ball milling (BM), and followed by spark plasma sintering (SPS). The effects of BM time on the microstructures and thermoelectric properties of these samples are investigated. It is found that BM effectively reduces the grain size to about 90 nm in the sample after SPS, which leads to a decrease in both the thermal conductivity and electrical conductivity. By prolonging the BM time, MnSi and tungsten/carbon-rich impurity phases are formed due to the impact-induced decomposition of HMS and contamination from the tungsten carbide jar and balls during the BM, respectively. These impurities result in a reduced Seebeck coefficient and increased thermal conductivity above room temperature. The measured size-dependent lattice thermal conductivities agree qualitatively with the reported calculation results based on a combined phonon and diffuson model. The size effects are found to be increasingly significant as temperature decreases. Because of the formation of the impurity phases and a relatively large grain size, the ZT values are not improved in the ball-milled HMS samples. These findings suggest the need of alternative approaches for the synthesis of pure HMS with further reduced grain size and controlled impurity doping in order to enhance the thermoelectric figure-of-merit of HMS via nanostructuring.

  7. Thermoelectric properties and performance of flexible reduced graphene oxide films up to 3,000 K

    Science.gov (United States)

    Li, Tian; Pickel, Andrea D.; Yao, Yonggang; Chen, Yanan; Zeng, Yuqiang; Lacey, Steven D.; Li, Yiju; Wang, Yilin; Dai, Jiaqi; Wang, Yanbin; Yang, Bao; Fuhrer, Michael S.; Marconnet, Amy; Dames, Chris; Drew, Dennis H.; Hu, Liangbing

    2018-02-01

    The development of ultrahigh-temperature thermoelectric materials could enable thermoelectric topping of combustion power cycles as well as extending the range of direct thermoelectric power generation in concentrated solar power. However, thermoelectric operation temperatures have been restricted to under 1,500 K due to the lack of suitable materials. Here, we demonstrate a thermoelectric conversion material based on high-temperature reduced graphene oxide nanosheets that can perform reliably up to 3,000 K. After a reduction treatment at 3,300 K, the nanosheet film exhibits an increased conductivity to 4,000 S cm-1 at 3,000 K and a high power factor S2σ = 54.5 µW cm-1 K-2. We report measurements characterizing the film's thermoelectric properties up to 3,000 K. The reduced graphene oxide film also exhibits a high broadband radiation absorbance and can act as both a radiative receiver and a thermoelectric generator. The printable, lightweight and flexible film is attractive for system integration and scalable manufacturing.

  8. Thermoelectric properties of ZnSb films grown by MOCVD

    International Nuclear Information System (INIS)

    Venkatasubramanian, R.; Watko, E.; Colpitts, T.

    1997-04-01

    The thermoelectric properties of metallorganic chemical vapor deposited (MOCVD) ZnSb films are reported. The growth conditions necessary to obtain stoichiometric ZnSb films and the effects of various growth parameters on the electrical conductivity and Seebeck coefficients of the films are described. The as-grown ZnSb films are p-type. It was observed that the growth of thicker ZnSb films lead to improved carrier mobilities and lower free-carrier concentrations. The Seebeck coefficient of ZnSb films was found to rise rapidly at approximately 160 to 170 C, with peak Seebeck coefficients as high as 470 microV/K at 220 C. The various growth conditions, including the use of intentional dopants, to improve the Seebeck coefficients at room temperature and above, are discussed. A short annealing of the ZnSb films at temperatures of ∼ 200 C resulted in reduced free-carrier levels and higher Seebeck coefficients at 300 K. Finally, ZT values based on preliminary thermal conductivity measurements using the 3-ω method are reported

  9. First-principles study on doping and temperature dependence of thermoelectric property of Bi2S3 thermoelectric material

    International Nuclear Information System (INIS)

    Guo, Donglin; Hu, Chenguo; Zhang, Cuiling

    2013-01-01

    Graphical abstract: The direction-induced ZT is found. At ZZ direction and n = 1.47 × 10 19 cm −3 , the ZT can reach maximal value, 0.36, which is three times as much as maximal laboratorial value. This result matches well the analysis of electron effective mass. Highlights: ► Electrical transportations of Bi 2 S 3 depend on the concentration and temperature. ► The direction-induced ZT is found. ► At ZZ direction and n = 1.47 × 10 19 cm −3 , the ZT can reach maximal value, 0.36. ► The maximal ZT value is three times as much as maximal laboratorial value. ► By doping and temperature tuning, Bi 2 S 3 is a promising thermoelectric material. - Abstract: The electronic structure and thermoelectric property of Bi 2 S 3 are investigated. The electron and hole effective mass of Bi 2 S 3 is analyzed in detail, from which we find that the thermoelectric transportation varies in different directions in Bi 2 S 3 crystal. Along ac plane the higher figure of merit (ZT) could be achieved. For n-type doped Bi 2 S 3 , the optimal doping concentration is found in the range of (1.0–5.0) × 10 19 cm −3 , in which the maximal ZT reaches 0.21 at 900 K, but along ZZ direction, the maximal ZT reaches 0.36. These findings provide a new understanding of thermoelectricity-dependent structure factors and improving ZT ways. The donor concentration N increases as T increases at one bar of pressure under a suitable chemical potential μ, but above this chemical potential μ, the donor concentration N keeps a constant

  10. Phase transition enhanced thermoelectric figure-of-merit in copper chalcogenides

    Directory of Open Access Journals (Sweden)

    David R. Brown

    2013-11-01

    Full Text Available While thermoelectric materials can be used for solid state cooling, waste heat recovery, and solar electricity generation, low values of the thermoelectric figure of merit, zT, have led to an efficiency too low for widespread use. Thermoelectric effects are characterized by the Seebeck coefficient or thermopower, which is related to the entropy associated with charge transport. For example, coupling spin entropy with the presence of charge carriers has enabled the enhancement of zT in cobalt oxides. We demonstrate that the coupling of a continuous phase transition to carrier transport in Cu2Se over a broad (360–410 K temperature range results in a dramatic peak in thermopower, an increase in phonon and electron scattering, and a corresponding doubling of zT (to 0.7 at 406 K, and a similar but larger increase over a wider temperature range in the zT of Cu1.97Ag.03Se (almost 1.0 at 400 K. The use of structural entropy for enhanced thermopower could lead to new engineering approaches for thermoelectric materials with high zT and new green applications for thermoelectrics.

  11. Electronic Structure and Thermoelectric Properties of Ca3 Co4O9

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    The relation among electronic structure, chemical bond and thermoelectric property of Ca3 Co4 O9 was studied using density function and discrete variation method (DFT-DVM).The gap between the highest valence band (HVB) and the lowest conduction band (LCB) shows a semiconducting property.Ca3 Co4 O9 colsists of CoO2 and Ca2 CoO3 two layers.The HVB and LCB near Fermi level are only mainly from O(2) 2p and Co(2) 3d in Ca2 CoO3 layer. Therefore, the semiconducting or thermoelectric property of Ca3 Co4 O9 should be mainly from Ca2 CoO3 layer, but it seems to have no direct relation to the CoO2 layer,which is consistent with that binary oxides hardly have a thermoelectric property, but trinary oxide compounds have quite a good thermoelectric property.The covalent and ionic bonds of Ca2 CoO3 layer are both weaker than those of CoO2 layer.Ca plays the role of connections between CoO2 and Ca2 CoO3 layers in Ca3 Co4 O9, decrease the ionic and covalent bond strength, and improve the thermoelectric property.

  12. Large thermoelectric power factor in Pr-doped SrTiO3-δ ceramics via grain-boundary-induced mobility enhancement

    KAUST Repository

    Mehdizadeh Dehkordi, Arash

    2014-04-08

    We report a novel synthesis strategy to prepare high-performance bulk polycrystalline Pr-doped SrTiO3 ceramics. A large thermoelectric power factor of 1.3 W m-1 K-1 at 500 °C is achieved in these samples. In-depth investigations of the electronic transport and microstructure suggest that this significant improvement results from a substantial enhancement in carrier mobility originating from the formation of Pr-rich grain boundaries. This work provides new directions to higher performance oxide thermoelectrics as well as possibly other properties and applications of this broadly functional perovskite material. © 2014 American Chemical Society.

  13. Large thermoelectric power factor in Pr-doped SrTiO3-δ ceramics via grain-boundary-induced mobility enhancement

    KAUST Repository

    Mehdizadeh Dehkordi, Arash; Bhattacharya, Sriparna K.; Darroudi, Taghi; Graff, Jennifer W.; Schwingenschlö gl, Udo; Alshareef, Husam N.; Tritt, Terry M.

    2014-01-01

    We report a novel synthesis strategy to prepare high-performance bulk polycrystalline Pr-doped SrTiO3 ceramics. A large thermoelectric power factor of 1.3 W m-1 K-1 at 500 °C is achieved in these samples. In-depth investigations of the electronic transport and microstructure suggest that this significant improvement results from a substantial enhancement in carrier mobility originating from the formation of Pr-rich grain boundaries. This work provides new directions to higher performance oxide thermoelectrics as well as possibly other properties and applications of this broadly functional perovskite material. © 2014 American Chemical Society.

  14. A bottom-up route to enhance thermoelectric figures of merit in graphene nanoribbons

    DEFF Research Database (Denmark)

    Sevincli, Haldun; Sevik, Cem; Cagin, Tahir

    2013-01-01

    We propose a hybrid nano-structuring scheme for tailoring thermal and thermoelectric transport properties of graphene nanoribbons. Geometrical structuring and isotope cluster engineering are the elements that constitute the proposed scheme. Using first-principles based force constants and Hamilto......We propose a hybrid nano-structuring scheme for tailoring thermal and thermoelectric transport properties of graphene nanoribbons. Geometrical structuring and isotope cluster engineering are the elements that constitute the proposed scheme. Using first-principles based force constants...... and Hamiltonians, we show that the thermal conductance of graphene nanoribbons can be reduced by 98.8% at room temperature and the thermoelectric figure of merit, ZT, can be as high as 3.25 at T = 800 K. The proposed scheme relies on a recently developed bottom-up fabrication method, which is proven to be feasible...

  15. The Effect of (Ag, Ni, Zn-Addition on the Thermoelectric Properties of Copper Aluminate

    Directory of Open Access Journals (Sweden)

    Jianxiao Xu

    2010-01-01

    Full Text Available Polycrystalline bulk copper aluminate Cu1-x-yAgxByAlO2 with B = Ni or Zn were prepared by spark plasma sintering and subsequent thermal treatment. The influence of partial substitution of Ag, Ni and Zn for Cu-sites in CuAlO2 on the high temperature thermoelectric properties has been studied. The addition of Ag and Zn was found to enhance the formation of CuAlO2 phase and to increase the electrical conductivity. The addition of Ag or Ag and Ni on the other hand decreases the electrical conductivity. The highest power factor of 1.26 × 10-4 W/mK2 was obtained for the addition of Ag and Zn at 1,060 K, indicating a significant improvement compared with the non-doped CuAlO2 sample.

  16. Thermoelectric properties of high pressure synthesized lithium and calcium double-filled CoSb3

    Directory of Open Access Journals (Sweden)

    Xiaohui Li

    2017-01-01

    Full Text Available Lithium and calcium are inefficient filling elements of CoSb3 at ambient pressure, but show nice filling behavior under high pressure. In this work, we synthesized Li/Ca double-filled CoSb3 with high pressure synthesis method. The products show the skutterudite structure of Im3¯ symmetry. Thermoelectric properties were effectively enhanced through Li and Ca co-filling. For the optimal Li0.08Ca0.18Co4Sb12 sample, the power factor maintains a relatively high value over the whole measurement temperature range and peaks at 4700μWm−1K−2, meanwhile the lattice thermal conductivity is greatly suppressed, leading to a maximal ZT of 1.18 at 700 K. Current work demonstrates high pressure synthesis as an effective method to produce multiple elemental filled CoSb3 skutterudites.

  17. Improved microstructure and thermoelectric properties of iodine doped indium selenide as a function of sintering temperature

    Science.gov (United States)

    Dhama, Pallavi; Kumar, Aparabal; Banerji, P.

    2018-04-01

    In this paper, we explored the effect of sintering temperature on the microstructure, thermal and electrical properties of iodine doped indium selenide in the temperature range 300 - 700 K. Samples were prepared by a collaborative process of vacuum melting, ball milling and spark plasma sintering at 570 K, 630 K and 690 K. Single phase samples were obtained at higher sintering temperature as InSe is stable only at lower temperature. With increasing sintering temperature, densities of the samples were found to improve with larger grain size formation. Negative values of Seebeck coefficient were observed which indicates n-type carrier transport. Seebeck coefficient increases with sintering temperature and found to be the highest for the sample sintered at 690 K. Thermal conductivity found to be lower in the samples sintered at lower temperatures. The maximum thermoelectric figure of merit found to be ˜ 1 at 700 K due to the enhanced power factor as a result of improved microstructure.

  18. Thermoelectric properties of In-rich InGaN and InN/InGaN superlattices

    Directory of Open Access Journals (Sweden)

    James (Zi-Jian Ju

    2016-04-01

    Full Text Available The thermoelectric properties of n-type InGaN alloys with high In-content and InN/InGaN thin film superlattices (SL grown by molecular beam epitaxy are investigated. Room-temperature measurements of the thermoelectric properties reveal that an increasing Ga-content in ternary InGaN alloys (0 < x(Ga < 0.2 yields a more than 10-fold reduction in thermal conductivity (κ without deteriorating electrical conductivity (σ, while the Seebeck coefficient (S increases slightly due to a widening band gap compared to binary InN. Employing InN/InGaN SLs (x(Ga = 0.1 with different periods, we demonstrate that confinement effects strongly enhance electron mobility with values as high as ∼820 cm2/V s at an electron density ne of ∼5×1019 cm−3, leading to an exceptionally high σ of ∼5400 (Ωcm−1. Simultaneously, in very short-period SL structures S becomes decoupled from ne, κ is further reduced below the alloy limit (κ < 9 W/m-K, and the power factor increases to 2.5×10−4 W/m-K2 by more than a factor of 5 as compared to In-rich InGaN alloys. These findings demonstrate that quantum confinement in group-III nitride-based superlattices facilitates improvements of thermoelectric properties over bulk-like ternary nitride alloys.

  19. Soft Chemistry, Coloring and Polytypism in Filled Tetrahedral Semiconductors: Toward Enhanced Thermoelectric and Battery Materials.

    Science.gov (United States)

    White, Miles A; Medina-Gonzalez, Alan M; Vela, Javier

    2018-03-12

    Filled tetrahedral semiconductors are a rich family of compounds with tunable electronic structure, making them ideal for applications in thermoelectrics, photovoltaics, and battery anodes. Furthermore, these materials crystallize in a plethora of related structures that are very close in energy, giving rise to polytypism through the manipulation of synthetic parameters. This Minireview highlights recent advances in the solution-phase synthesis and nanostructuring of these materials. These methods enable the synthesis of metastable phases and polytypes that were previously unobtainable. Additionally, samples synthesized in solution phase have enhanced thermoelectric performance due to their decreased grain size. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Enhanced thermoelectric transport in modulation-doped GaN/AlGaN core/shell nanowires

    International Nuclear Information System (INIS)

    Song, Erdong; Martinez, Julio A; Li, Qiming; Pan, Wei; Wang, George T; Swartzentruber, Brian

    2016-01-01

    The thermoelectric properties of unintentionally n-doped core GaN/AlGaN core/shell N-face nanowires are reported. We found that the temperature dependence of the electrical conductivity is consistent with thermally activated carriers with two distinctive donor energies. The Seebeck coefficient of GaN/AlGaN nanowires is more than twice as large as that for the GaN nanowires alone. However, an outer layer of GaN deposited onto the GaN/AlGaN core/shell nanowires decreases the Seebeck coefficient at room temperature, while the temperature dependence of the electrical conductivity remains the same. We attribute these observations to the formation of an electron gas channel within the heavily-doped GaN core of the GaN/AlGaN nanowires. The room-temperature thermoelectric power factor for the GaN/AlGaN nanowires can be four times higher than the GaN nanowires. Selective doping in bandgap engineered core/shell nanowires is proposed for enhancing the thermoelectric power. (paper)

  1. Enhanced thermoelectric transport in modulation-doped GaN/AlGaN core/shell nanowires.

    Science.gov (United States)

    Song, Erdong; Li, Qiming; Swartzentruber, Brian; Pan, Wei; Wang, George T; Martinez, Julio A

    2016-01-08

    The thermoelectric properties of unintentionally n-doped core GaN/AlGaN core/shell N-face nanowires are reported. We found that the temperature dependence of the electrical conductivity is consistent with thermally activated carriers with two distinctive donor energies. The Seebeck coefficient of GaN/AlGaN nanowires is more than twice as large as that for the GaN nanowires alone. However, an outer layer of GaN deposited onto the GaN/AlGaN core/shell nanowires decreases the Seebeck coefficient at room temperature, while the temperature dependence of the electrical conductivity remains the same. We attribute these observations to the formation of an electron gas channel within the heavily-doped GaN core of the GaN/AlGaN nanowires. The room-temperature thermoelectric power factor for the GaN/AlGaN nanowires can be four times higher than the GaN nanowires. Selective doping in bandgap engineered core/shell nanowires is proposed for enhancing the thermoelectric power.

  2. High-throughput exploration of thermoelectric and mechanical properties of amorphous NbO{sub 2} with transition metal additions

    Energy Technology Data Exchange (ETDEWEB)

    Music, Denis, E-mail: music@mch.rwth-aachen.de; Geyer, Richard W.; Hans, Marcus [Materials Chemistry, RWTH Aachen University, Kopernikusstr. 10, 52074 Aachen (Germany)

    2016-07-28

    To increase the thermoelectric efficiency and reduce the thermal fatigue upon cyclic heat loading, alloying of amorphous NbO{sub 2} with all 3d and 5d transition metals has systematically been investigated using density functional theory. It was found that Ta fulfills the key design criteria, namely, enhancement of the Seebeck coefficient and positive Cauchy pressure (ductility gauge). These quantum mechanical predictions were validated by assessing the thermoelectric and elastic properties on combinatorial thin films, which is a high-throughput approach. The maximum power factor is 2813 μW m{sup −1} K{sup −2} for the Ta/Nb ratio of 0.25, which is a hundredfold increment compared to pure NbO{sub 2} and exceeds many oxide thermoelectrics. Based on the elasticity measurements, the consistency between theory and experiment for the Cauchy pressure was attained within 2%. On the basis of the electronic structure analysis, these configurations can be perceived as metallic, which is consistent with low electrical resistivity and ductile behavior. Furthermore, a pronounced quantum confinement effect occurs, which is identified as the physical origin for the Seebeck coefficient enhancement.

  3. High-throughput exploration of thermoelectric and mechanical properties of amorphous NbO_2 with transition metal additions

    International Nuclear Information System (INIS)

    Music, Denis; Geyer, Richard W.; Hans, Marcus

    2016-01-01

    To increase the thermoelectric efficiency and reduce the thermal fatigue upon cyclic heat loading, alloying of amorphous NbO_2 with all 3d and 5d transition metals has systematically been investigated using density functional theory. It was found that Ta fulfills the key design criteria, namely, enhancement of the Seebeck coefficient and positive Cauchy pressure (ductility gauge). These quantum mechanical predictions were validated by assessing the thermoelectric and elastic properties on combinatorial thin films, which is a high-throughput approach. The maximum power factor is 2813 μW m"−"1 K"−"2 for the Ta/Nb ratio of 0.25, which is a hundredfold increment compared to pure NbO_2 and exceeds many oxide thermoelectrics. Based on the elasticity measurements, the consistency between theory and experiment for the Cauchy pressure was attained within 2%. On the basis of the electronic structure analysis, these configurations can be perceived as metallic, which is consistent with low electrical resistivity and ductile behavior. Furthermore, a pronounced quantum confinement effect occurs, which is identified as the physical origin for the Seebeck coefficient enhancement.

  4. Synthesis of Non-uniformly Pr-doped SrTiO3 Ceramics and Their Thermoelectric Properties

    KAUST Repository

    Mehdizadeh Dehkordi, Arash; Bhattacharya, Sriparna; Darroudi, Taghi; Zeng, Xiaoyu; Alshareef, Husam N.; Tritt, Terry M.

    2015-01-01

    We demonstrate a novel synthesis strategy for the preparation of Pr-doped SrTiO3 ceramics via a combination of solid state reaction and spark plasma sintering techniques. Polycrystalline ceramics possessing a unique morphology can be achieved by optimizing the process parameters, particularly spark plasma sintering heating rate. The phase and morphology of the synthesized ceramics were investigated in detail using X-ray diffraction, scanning electron microcopy and energy-dispersive X-ray spectroscopy It was observed that the grains of these bulk Pr-doped SrTiO3 ceramics were enhanced with Pr-rich grain boundaries. Electronic and thermal transport properties were also investigated as a function of temperature and doping concentration Such a microstructure was found to give rise to improved thermoelectric properties. Specifically, it resulted in a significant improvement in carrier mobility and the thermoelectric power factor. Simultaneously, it also led to a marked reduction in the thermal conductivity. As a result, a significant improvement (> 30%) in the thermoelectric figure of merit was achieved for the whole temperature range over all previously reported maximum values for SrTiO3-based ceramics. This synthesis demonstrates the steps for the preparation of bulk polycrystalline ceramics of non-uniformly Pr-doped SrTiO3.

  5. Synthesis of Non-uniformly Pr-doped SrTiO3 Ceramics and Their Thermoelectric Properties

    KAUST Repository

    Mehdizadeh Dehkordi, Arash

    2015-08-15

    We demonstrate a novel synthesis strategy for the preparation of Pr-doped SrTiO3 ceramics via a combination of solid state reaction and spark plasma sintering techniques. Polycrystalline ceramics possessing a unique morphology can be achieved by optimizing the process parameters, particularly spark plasma sintering heating rate. The phase and morphology of the synthesized ceramics were investigated in detail using X-ray diffraction, scanning electron microcopy and energy-dispersive X-ray spectroscopy It was observed that the grains of these bulk Pr-doped SrTiO3 ceramics were enhanced with Pr-rich grain boundaries. Electronic and thermal transport properties were also investigated as a function of temperature and doping concentration Such a microstructure was found to give rise to improved thermoelectric properties. Specifically, it resulted in a significant improvement in carrier mobility and the thermoelectric power factor. Simultaneously, it also led to a marked reduction in the thermal conductivity. As a result, a significant improvement (> 30%) in the thermoelectric figure of merit was achieved for the whole temperature range over all previously reported maximum values for SrTiO3-based ceramics. This synthesis demonstrates the steps for the preparation of bulk polycrystalline ceramics of non-uniformly Pr-doped SrTiO3.

  6. Thermoelectric Properties of High-Doped Silicon from Room Temperature to 900 K

    Science.gov (United States)

    Stranz, A.; Kähler, J.; Waag, A.; Peiner, E.

    2013-07-01

    Silicon is investigated as a low-cost, Earth-abundant thermoelectric material for high-temperature applications up to 900 K. For the calculation of module design the Seebeck coefficient and the electrical as well as thermal properties of silicon in the high-temperature range are of great importance. In this study, we evaluate the thermoelectric properties of low-, medium-, and high-doped silicon from room temperature to 900 K. In so doing, the Seebeck coefficient, the electrical and thermal conductivities, as well as the resulting figure of merit ZT of silicon are determined.

  7. Perspective: Web-based machine learning models for real-time screening of thermoelectric materials properties

    Science.gov (United States)

    Gaultois, Michael W.; Oliynyk, Anton O.; Mar, Arthur; Sparks, Taylor D.; Mulholland, Gregory J.; Meredig, Bryce

    2016-05-01

    The experimental search for new thermoelectric materials remains largely confined to a limited set of successful chemical and structural families, such as chalcogenides, skutterudites, and Zintl phases. In principle, computational tools such as density functional theory (DFT) offer the possibility of rationally guiding experimental synthesis efforts toward very different chemistries. However, in practice, predicting thermoelectric properties from first principles remains a challenging endeavor [J. Carrete et al., Phys. Rev. X 4, 011019 (2014)], and experimental researchers generally do not directly use computation to drive their own synthesis efforts. To bridge this practical gap between experimental needs and computational tools, we report an open machine learning-based recommendation engine (http://thermoelectrics.citrination.com) for materials researchers that suggests promising new thermoelectric compositions based on pre-screening about 25 000 known materials and also evaluates the feasibility of user-designed compounds. We show this engine can identify interesting chemistries very different from known thermoelectrics. Specifically, we describe the experimental characterization of one example set of compounds derived from our engine, RE12Co5Bi (RE = Gd, Er), which exhibits surprising thermoelectric performance given its unprecedentedly high loading with metallic d and f block elements and warrants further investigation as a new thermoelectric material platform. We show that our engine predicts this family of materials to have low thermal and high electrical conductivities, but modest Seebeck coefficient, all of which are confirmed experimentally. We note that the engine also predicts materials that may simultaneously optimize all three properties entering into zT; we selected RE12Co5Bi for this study due to its interesting chemical composition and known facile synthesis.

  8. Large-scale synthesis of lead telluride (PbTe) nanotube-based nanocomposites with tunable morphology, crystallinity and thermoelectric properties

    Science.gov (United States)

    Park, Kee-Ryung; Cho, Hong-Baek; Song, Yoseb; Kim, Seil; Kwon, Young-Tae; Ryu, Seung Han; Lim, Jae-Hong; Lee, Woo-Jin; Choa, Yong-Ho

    2018-04-01

    A few millimeter-long lead telluride (PbTe) hollow nanofibers with thermoelectric properties was synthesized for the first time with high through manner via three-step sequential process of electrospinning, electrodeposition and cationic exchange reaction. As-synthesized electrospun Ag nanofibers with ultra-long aspect ratio of 10,000 were Te electrodeposited to obtain silver telluride nanotubes and underwent cationic exchange reaction in Pb(NO3)2 solution to obtain polycrystalline PbTe nanotubes with average diameter of 100 nm with 20 nm of wall thickness. Variation of the Ag-to-Pb ratio in the AgxTey-PbTe nanocomposites during the cationic exchange reaction enabled to control the thermoelectric properties of resulting 1D hollow nanofibers. The diameter of Ag nanofiber is the key factor to determine the final dimension of the PbTe nanotubes in the topotactic transformation and the content of Ag ion leads to the enhancement of thermoelectric properties in the AgxTey-PbTe nanocomposites. The synthesized 1D nanocomposite mats showed the highest value of Seebeck coefficient of 433 μV/K (at 300 K) when the remained Ag content was 30%, while the power factor reached highest to 0.567 μW/mK2 for the pure PbTe nanotubes. The enhancement of thermoelectric properties and the composite crystallinity are elucidated with relation to Ag contents in the resulting 1D nanocomposites.

  9. Synthesis–property relationship in thermoelectric Sr 1− x Yb x TiO 3− δ ceramics

    KAUST Repository

    Bhattacharya, S; Dehkordi, A Mehdizadeh; Alshareef, Husam N.; Tritt, T M

    2014-01-01

    (sigma) increases almost by a factor of 6, through the optimization of SSR parameters. The enhancement in the electrical conductivity leads to an enhancement in the thermoelectric power factor by a factor of 3. In addition, the lattice thermal

  10. Oxidant-Dependent Thermoelectric Properties of Undoped ZnO Films by Atomic Layer Deposition

    KAUST Repository

    Kim, Hyunho

    2017-02-27

    Extraordinary oxidant-dependent changes in the thermoelectric properties of undoped ZnO thin films deposited by atomic layer deposition (ALD) have been observed. Specifically, deionized water and ozone oxidants are used in the growth of ZnO by ALD using diethylzinc as a zinc precursor. No substitutional atoms have been added to the ZnO films. By using ozone as an oxidant instead of water, a thermoelectric power factor (σS) of 5.76 × 10 W m K is obtained at 705 K for undoped ZnO films. In contrast, the maximum power factor for the water-based ZnO film is only 2.89 × 10 W m K at 746 K. Materials analysis results indicate that the oxygen vacancy levels in the water- and ozone-grown ZnO films are essentially the same, but the difference comes from Zn-related defects present in the ZnO films. The data suggest that the strong oxidant effect on thermoelectric performance can be explained by a mechanism involving point defect-induced differences in carrier concentration between these two oxides and a self-compensation effect in water-based ZnO due to the competitive formations of both oxygen and zinc vacancies. This strong oxidant effect on the thermoelectric properties of undoped ZnO films provides a pathway to improve the thermoelectric performance of this important material.

  11. The electric and thermoelectric properties of Cu(II)-Schiff base nano-complexes

    Science.gov (United States)

    Ibrahim, E. M. M.; Abdel-Rahman, Laila H.; Abu-Dief, Ahmed M.; Elshafaie, A.; Hamdan, Samar Kamel; Ahmed, A. M.

    2018-05-01

    The physical properties, such as electric and optical properties, of metal-Schiff base complexes have been widely investigated. However, their thermoelectric (TE) properties remain unreported. This work presents Cu(II)-Schiff base complexes as promising materials for TE power generation. Therefore, three Cu(II)-Schiff base complexes (namely, [Cu(C32H22N4O2)].3/2H2O, [Cu(C23H17N4O7Br)], and [Cu(C27H22N4O8)].H2O) have been synthesized in nanosized scale. The electric and TE properties have been studied and comprehensive discussions have been presented to promote the nano-complexes (NCs) practical applications in the field of TE power generation. The electrical measurements confirm that the NCs are semiconductors and the electrical conduction process is governed by intermolecular and intramolecular transfer of the charge carriers. The TE measurements reveal that the Cu(II)-Schiff base NCs are nondegenerate P-type semiconductors. The measured Seebeck coefficient values were higher compared to the values reported in previous works for other organic materials indicating that the complexes under study are promising candidates for theremoelectric applications if the electrical conductivity could be enhanced.

  12. Thermoelectric properties of a Mn substituted synthetic tetrahedrite.

    Science.gov (United States)

    Chetty, Raju; D S, Prem Kumar; Rogl, Gerda; Rogl, Peter; Bauer, Ernst; Michor, Herwig; Suwas, Satyam; Puchegger, Stephan; Giester, Gerald; Mallik, Ramesh Chandra

    2015-01-21

    Tetrahedrite compounds Cu(12-x)Mn(x)Sb4S13 (0 ≤x≤ 1.8) were prepared by solid state synthesis. A detailed crystal structure analysis of Cu10.6Mn1.4Sb4S13 was performed by single crystal X-ray diffraction (XRD) at 100, 200 and 300 K confirming the noncentrosymmetric structure (space group I4[combining macron]3m) of a tetrahedrite. The large atomic displacement parameter of the Cu2 atoms was described by splitting the 12e site into a partially and randomly occupied 24g site (Cu22) in addition to the regular 12e site (Cu21), suggesting a mix of dynamic and static off-plane Cu2 atom disorder. Rietveld powder XRD pattern and electron probe microanalysis revealed that all the Mn substituted samples showed a single tetrahedrite phase. The electrical resistivity increased with increasing Mn due to substitution of Mn(2+) at the Cu(1+) site. The positive Seebeck coefficient for all samples indicates that the dominant carriers are holes. Even though the thermal conductivity decreased as a function of increasing Mn, the thermoelectric figure of merit ZT decreased, because the decrease of the power factor is stronger than the decrease of the thermal conductivity. The maximum ZT = 0.76 at 623 K is obtained for Cu12Sb4S13. The coefficient of thermal expansion 13.5 ± 0.1 × 10(-6) K(-1) is obtained in the temperature range from 460 K to 670 K for Cu10.2Mn1.8Sb4S13. The Debye temperature, Θ(D) = 244 K for Cu10.2Mn1.8Sb4S13, was estimated from an evaluation of the elastic properties. The effective paramagnetic moment 7.45 μB/f.u. for Cu10.2Mn1.8Sb4S13 is fairly consistent with a high spin 3d(5) ground state of Mn.

  13. Thermoelectric properties of boron and boron phosphide CVD wafers

    Energy Technology Data Exchange (ETDEWEB)

    Kumashiro, Y.; Yokoyama, T.; Sato, A.; Ando, Y. [Yokohama National Univ. (Japan)

    1997-10-01

    Electrical and thermal conductivities and thermoelectric power of p-type boron and n-type boron phosphide wafers with amorphous and polycrystalline structures were measured up to high temperatures. The electrical conductivity of amorphous boron wafers is compatible to that of polycrystals at high temperatures and obeys Mott`s T{sup -{1/4}} rule. The thermoelectric power of polycrystalline boron decreases with increasing temperature, while that of amorphous boron is almost constant in a wide temperature range. The weak temperature dependence of the thermal conductivity of BP polycrystalline wafers reflects phonon scattering by grain boundaries. Thermal conductivity of an amorphous boron wafer is almost constant in a wide temperature range, showing a characteristic of a glass. The figure of merit of polycrystalline BP wafers is 10{sup -7}/K at high temperatures while that of amorphous boron is 10{sup -5}/K.

  14. Structure and thermoelectric property of Te doped paracostibite CoSb1-xTexS compounds

    Science.gov (United States)

    You, Yonghui; Su, Xianli; Liu, Wei; Yan, Yonggao; Fu, Jiefei; Cheng, Xin; Zhang, Cheng; Tang, Xinfeng

    2018-06-01

    Paracostibite (CoSbS), a newly developed thermoelectric material, has aroused lots of interest due to its highly earth abundant and inexpensive constituent elements and potential application for thermoelectric power generation in the intermediate temperature range. Herein, a series of CoSb1-xTexS (x = 0-0.09) compounds were prepared by vacuum melting and annealing followed by SPS processing, and the effects of Te doping on the structure and thermoelectric properties were systematically investigated. Doping Te on the Sb site increases the carrier concentration up to 7.24 × 1020 cm-3 for CoSb0.93Te0.07S compound which is several orders of magnitude higher than that of un-doped CoSbS, and enhances the power factor. The maximum power factor of 14.07 μW cm-1 K-2 is attained at 900 K. Concomitantly, doping with Te on the Sb site leads to effective scattering of heat carrying phonon, accompanying with a strong suppression of the thermal conductivity with the increase of Te content, resulting in an increase of the ZT. A maximum ZT of 0.43 at 900 K is attained for CoSb0.93Te0.07S compound, which is 139% higher than that of un-doped CoSbS compound.

  15. Structural stability, dynamical stability, thermoelectric properties, and elastic properties of GeTe at high pressure

    Science.gov (United States)

    Kagdada, Hardik L.; Jha, Prafulla K.; Śpiewak, Piotr; Kurzydłowski, Krzysztof J.

    2018-04-01

    The stability of GeTe in rhombohedral (R 3 m ), face centred cubic (F m 3 m ), and simple cubic (P m 3 m ) phases has been studied using density functional perturbation theory. The rhombohedral phase of GeTe is dynamically stable at 0 GPa, while F m 3 m and P m 3 m phases are stable at 3.1 and 33 GPa, respectively. The pressure-dependent phonon modes are observed in F m 3 m and P m 3 m phases at Γ and M points, respectively. The electronic and the thermoelectric properties have been investigated for the stable phases of GeTe. The electronic band gap for rhombohedral and F m 3 m phases of GeTe has been observed as 0.66 and 0.17 eV, respectively, while the P m 3 m phase shows metallic behavior. We have used the Boltzmann transport equation under a rigid band approximation and constant relaxation time approximation as implemented in boltztrap code for the calculation of thermoelectric properties of GeTe. The metallic behavior of P m 3 m phase gives a very low value of Seebeck coefficient compared to the other two phases as a function of temperature and the chemical potential μ. It is observed that the rhombohedral phase of GeTe exhibits higher thermoelectric performance. Due to the metallic nature of P m 3 m phase, negligible thermoelectric performance is observed compared to R 3 m and F m 3 m -GeTe. The calculated lattice thermal conductivities are low for F m 3 m -GeTe and high for R 3 m -GeTe. At the relatively higher temperature of 1350 K, the figure of merit ZT is found to be 0.7 for rhombohedral GeTe. The elastic constants satisfy the Born stability criteria for all three phases. The rhombohedral and F m 3 m phases exhibits brittleness and the P m 3 m phase shows ductile nature.

  16. Enhanced thermoelectric performance of amorphous Nb based oxynitrides

    Energy Technology Data Exchange (ETDEWEB)

    Music, Denis, E-mail: music@mch.rwth-aachen.de; Geyer, Richard W.; Hans, Marcus

    2015-12-15

    Using density functional theory, amorphous Nb{sub 0.27}Ru{sub 0.06}O{sub 0.56}N{sub 0.10} was designed to facilitate a combination of an enhanced Seebeck coefficient and low electrical resistivity. Based on a positive Cauchy pressure, ductile behavior is expected. To verify these predictions, the transport and mechanical properties of amorphous thin films were evaluated. Metallic electrical resistivity and the Seebeck coefficient of −94 µV K{sup −1} are obtained, which is consistent with our predictions. As there is no crack formation, these samples can be perceived as ductile. We demonstrate that the power factor can be increased by an order of magnitude, while keeping the thermal fatigue low.

  17. Enhanced thermoelectric performance of amorphous Nb based oxynitrides

    International Nuclear Information System (INIS)

    Music, Denis; Geyer, Richard W.; Hans, Marcus

    2015-01-01

    Using density functional theory, amorphous Nb_0_._2_7Ru_0_._0_6O_0_._5_6N_0_._1_0 was designed to facilitate a combination of an enhanced Seebeck coefficient and low electrical resistivity. Based on a positive Cauchy pressure, ductile behavior is expected. To verify these predictions, the transport and mechanical properties of amorphous thin films were evaluated. Metallic electrical resistivity and the Seebeck coefficient of −94 µV K"−"1 are obtained, which is consistent with our predictions. As there is no crack formation, these samples can be perceived as ductile. We demonstrate that the power factor can be increased by an order of magnitude, while keeping the thermal fatigue low.

  18. Enhanced thermoelectric performance of amorphous Nb based oxynitrides

    Science.gov (United States)

    Music, Denis; Geyer, Richard W.; Hans, Marcus

    2015-12-01

    Using density functional theory, amorphous Nb0.27Ru0.06O0.56N0.10 was designed to facilitate a combination of an enhanced Seebeck coefficient and low electrical resistivity. Based on a positive Cauchy pressure, ductile behavior is expected. To verify these predictions, the transport and mechanical properties of amorphous thin films were evaluated. Metallic electrical resistivity and the Seebeck coefficient of -94 μV K-1 are obtained, which is consistent with our predictions. As there is no crack formation, these samples can be perceived as ductile. We demonstrate that the power factor can be increased by an order of magnitude, while keeping the thermal fatigue low.

  19. Enhanced thermoelectric efficiency via orthogonal electrical and thermal conductances in phosphorene.

    Science.gov (United States)

    Fei, Ruixiang; Faghaninia, Alireza; Soklaski, Ryan; Yan, Jia-An; Lo, Cynthia; Yang, Li

    2014-11-12

    Thermoelectric devices that utilize the Seebeck effect convert heat flow into electrical energy and are highly desirable for the development of portable, solid state, passively powered electronic systems. The conversion efficiencies of such devices are quantified by the dimensionless thermoelectric figure of merit (ZT), which is proportional to the ratio of a device's electrical conductance to its thermal conductance. In this paper, a recently fabricated two-dimensional (2D) semiconductor called phosphorene (monolayer black phosphorus) is assessed for its thermoelectric capabilities. First-principles and model calculations reveal not only that phosphorene possesses a spatially anisotropic electrical conductance, but that its lattice thermal conductance exhibits a pronounced spatial-anisotropy as well. The prominent electrical and thermal conducting directions are orthogonal to one another, enhancing the ratio of these conductances. As a result, ZT may reach the criterion for commercial deployment along the armchair direction of phosphorene at T = 500 K and is close to 1 even at room temperature given moderate doping (∼2 × 10(16) m(-2) or 2 × 10(12) cm(-2)). Ultimately, phosphorene hopefully stands out as an environmentally sound thermoelectric material with unprecedented qualities. Intrinsically, it is a mechanically flexible material that converts heat energy with high efficiency at low temperatures (∼300 K), one whose performance does not require any sophisticated engineering techniques.

  20. Thermoelectric Properties of the XCoSb (X: Ti,Zr,Hf) Half-Heusler Alloys

    KAUST Repository

    Gandi, Appala; Schwingenschlö gl, Udo

    2017-01-01

    We investigate the thermoelectric properties of the half-Heusler alloys XCoSb (X: Ti,Zr,Hf) by solving Boltzmann transport equations and discuss them in terms of the electronic band structure. The rigid band approximation is employed to address

  1. Effect of ball milling time on thermoelectric properties of bismuth telluride nanomaterials

    Science.gov (United States)

    Khade, Poonam; Bagwaiya, Toshi; Bhattacharaya, Shovit; Singh, Ajay; Jha, Purushottam; Shelke, Vilas

    2018-04-01

    The effect of different milling time on thermoelectric properties of bismuth telluride (Bi2Te3) was investigated. The nanomaterial was prepared by varying the ball milling time and followed by hot press sintering. The crystal structure and phase formation were verified by X-ray diffraction and Raman Spectroscopy. The experimental results show that electrical conductivity increases whereas thermal conductivity decreases with increasing milling time. The negative sign of seebeck coefficient indicate the n-type nature with majority charge carriers of electrons. A maximum figure of merit about 0.55 is achieved for l5hr ball milled Bi2Te3 sample. The present study demonstrates the simple and cost-effective method for synthesis of Bi2Te3 thermoelectric material at large scale thermoelectric applications.

  2. Heat transfer enhancement of a modularised thermoelectric power generator for passenger vehicles

    International Nuclear Information System (INIS)

    Li, Bo; Huang, Kuo; Yan, Yuying; Li, Yong; Twaha, Ssennoga; Zhu, Jie

    2017-01-01

    Highlights: •Shape-adapted thermoelectric module for highly compact heat recovery exchanger assembly. •Heat pipe-assisted heat transfer enhancement method for better power output. •Highest power output ratio to the total volume of heat recovery exchanger. •Cascaded thermoelectric system can be scaled and extended for various power output. •Self-clamping design of thermoelectric module can solve the thermomechanical imbalances. -- Abstract: Transport represents over a quarter of Europe's greenhouse gas emissions and is the leading cause of air pollution in cities. It has not seen the same gradual decline in emissions as other sectors. Recently, the thermoelectric power generation (TEG) technology emerges as an alternative solution to the emission reduction challenge in this area. In this paper, we present an innovative pathway to an improved heat supply into the concentric shape-adapted TEG modules, integrating the heat pipe technologies. It relies on a phase changing approach which enhances the heat flux through the TEG surface. In order to improve the heat transfer for higher efficiency, in our work, the heat pipes are configured in the radial direction of the exhaust streams. The analysis shows that the power output is adequate for the limited space under the chassis of the passenger car. Much effort can also be applied to obtain enhanced convective heat transfer by adjusting the heat pipes at the dual sides of the concentric TEG modules. Heat enhancement at the hot side of the TEG has an effective impact on the total power out of the TEG modules. However, such improvements can be offset by the adjustment made from the coolant side. Predictably, the whole temperature profile of TEG system is subject to the durability and operational limitations of each component. Furthermore, the results highlight the importance of heat transfer versus the TEG power generation under two possible configurations in the passenger car. The highest power output per

  3. Power generation enhancement in a salinity-gradient solar pond power plant using thermoelectric generator

    International Nuclear Information System (INIS)

    Ziapour, Behrooz M.; Saadat, Mohammad; Palideh, Vahid; Afzal, Sadegh

    2017-01-01

    Highlights: • Thermoelectric generator was used and simulated within a salinity-gradient solar pond power plant. • Results showed that the thermoelectric generator can be able to enhance the power plant efficiency. • Results showed that the presented models can be able to produce generation even in the cold months. • The optimum size of area of solar pond based on its effect on efficiency is 50,000 m 2 . - Abstract: Salinity-gradient solar pond (SGSP) has been a reliable supply of heat source for power generation when it has been integrated with low temperature thermodynamics cycles like organic Rankine cycle (ORC). Also, thermoelectric generator (TEG) plays a critical role in the production of electricity from renewable energy sources. This paper investigates the potential of thermoelectric generator as a power generation system using heat from SGSP. In this work, thermoelectric generator was used instead of condenser of ORC with the purpose of improving the performance of system. Two new models of SGSP have been presented as: (1) SGSP using TEG in condenser of ORC without heat exchanger and (2) SGSP using TEG in condenser of ORC with heat exchanger. These proposed systems was evaluated through computer simulations. The ambient conditions were collected from beach of Urmia lake in IRAN. Simulation results indicated that, for identical conditions, the model 1 has higher performance than other model 2. For models 1 and 2 in T LCZ = 90 °C, the overall thermal efficiency of the solar pond power plant, were obtained 0.21% and 0.2% more than ORC without TEG, respectively.

  4. Enhanced thermoelectric figure-of-merit in thermally robust, nanostructured superlattices based on SrTiO3

    KAUST Repository

    Abutaha, Anas I.

    2015-03-24

    Thermoelectric (TE) metal oxides overcome crucial disadvantages of traditional heavy-metal-alloy-based TE materials, such as toxicity, scarcity, and instability at high temperatures. Here, we report the TE properties of metal oxide superlattices, composed from alternating layers of 5% Pr3+-doped SrTiO3-δ (SPTO) and 20% Nb5+-doped SrTiO3-δ (STNO) fabricated using pulsed laser deposition (PLD). Excellent stability is established for these superlattices by maintaining the crystal structure and reproducing the TE properties after long-time (20 h) annealing at high temperature (∼1000 K). The introduction of oxygen vacancies as well as extrinsic dopants (Pr3+ and Nb5+), with different masses and ionic radii, at different lattice sites in SPTO and STNO layers, respectively, results in a substantial reduction of thermal conductivity via scattering a wider range of phonon spectrum without limiting the electrical transport and thermopower, leading to an enhancement in the figure-of-merit (ZT). The superlattice composed of 20 SPTO/STNO pairs, 8 unit cells of each layer, exhibits a ZT value of 0.46 at 1000 K, which is the highest among SrTiO3-based thermoelectrics. © 2015 American Chemical Society.

  5. Enhanced thermoelectric figure-of-merit in thermally robust, nanostructured superlattices based on SrTiO3

    KAUST Repository

    Abutaha, Anas I.; Sarath Kumar, S. R.; Li, Kun; Dehkordi, Arash Mehdizadeh; Tritt, Terry M.; Alshareef, Husam N.

    2015-01-01

    Thermoelectric (TE) metal oxides overcome crucial disadvantages of traditional heavy-metal-alloy-based TE materials, such as toxicity, scarcity, and instability at high temperatures. Here, we report the TE properties of metal oxide superlattices, composed from alternating layers of 5% Pr3+-doped SrTiO3-δ (SPTO) and 20% Nb5+-doped SrTiO3-δ (STNO) fabricated using pulsed laser deposition (PLD). Excellent stability is established for these superlattices by maintaining the crystal structure and reproducing the TE properties after long-time (20 h) annealing at high temperature (∼1000 K). The introduction of oxygen vacancies as well as extrinsic dopants (Pr3+ and Nb5+), with different masses and ionic radii, at different lattice sites in SPTO and STNO layers, respectively, results in a substantial reduction of thermal conductivity via scattering a wider range of phonon spectrum without limiting the electrical transport and thermopower, leading to an enhancement in the figure-of-merit (ZT). The superlattice composed of 20 SPTO/STNO pairs, 8 unit cells of each layer, exhibits a ZT value of 0.46 at 1000 K, which is the highest among SrTiO3-based thermoelectrics. © 2015 American Chemical Society.

  6. Preparation of 2D MoSe2/PEDOT:PSS composite and its thermoelectric properties

    Science.gov (United States)

    Li, Xia; Liu, Congcong; Wang, Tongzhou; Wang, Wenfang; Wang, Xiaodong; Jiang, Qinglin; Jiang, Fengxing; Xu, Jingkun

    2017-11-01

    Nowadays, inorganic/polymer composites have attracted significant interest in thermoelectric field, since the composite materials usually achieve their respective advantages complementary to each other. In this work, molybdenum diselenide (MoSe2) was synthesized by a facile hydrothermal method. Solution processible two-dimensional (2D) MoSe2 nanosheets (NSs) were successfully obtained using dimethylsulfoxide (DMSO) solvent or lithium intercalation procedure. Combined with Poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS), MoSe2/PEDOT:PSS composite thin films were fabricated by direct vacuum-filtration method. Thermoelectric properties of composite thin films were investigated systematically and found that 2D MoSe2 NSs and PEDOT:PSS have the synergistic effect on improving thermoelectric properties. The maximum power factor was calculated to be 48.6 µW m-1 K-2 with 5 wt% 2D MoSe2 NSs embedding into PEDOT:PSS matrix, which is almost 69% higher than that of pure PEDOT:PSS. These results demonstrate that 2D inorganic/polymer composite method is one of promising strategies to get high-performance polymer-based thermoelectric composites.

  7. Tuning the Transport Properties of Layered Materials for Thermoelectric Applications using First-Principles Calculations

    KAUST Repository

    Saeed, Yasir

    2014-05-11

    Thermoelectric materials can convert waste heat into electric power and thus provide a way to reduce the dependence on fossil fuels. Our aim is to model the underlying materials properties and, in particular, the transport as controlled by electrons and lattice vibrations. The goal is to develop an understanding of the thermoelectric properties of selected materials at a fundamental level. The structural, electronic, optical, and phononic properties are studied in order to tune the transport, focusing on KxRhO2, NaxRhO2, PtSb2 and Bi2Se3. The investigations are based on density functional theory as implemented in the all electron linearized augmented plane wave plus local orbitals WIEN2k and pseudo potential Quantum-ESPRESSO codes. The thermoelectric properties are derived from Boltzmann transport theory under the constant relaxation time approximation, using the BoltzTraP code. We will discuss first the changes in the electronic band structure under variation of the cation concentration in layered KxRhO2 in the 2H phase and NaxRhO2 in the 3R phase. We will also study the hydrated phase. The deformations of the RhO6 octahedra turn out to govern the thermoelectric properties, where the high Seebeck coefficient results from ”pudding mold" bands. We investigate the thermoelectric properties of electron and hole doped PtSb2, which is not a layered material but shares “pudding mold" bands. PtSb2 has a high Seebeck coefficient at room temperature, which increases significantly under As alloying by bandgap opening and reduction of the lattice thermal conductivity. Bi2Se3 (bulk and thin film) has a larger bandgap then the well-known thermoelectric material Bi2Te3, which is important at high temperature. The structural stability, electronic structure, and transport properties of one to six quintuple layers of Bi2Se3 will be discussed. We also address the effect of strain on a single quintuple layer by phonon band structures. We will analyze the electronic and transport

  8. Thermoelectric properties of currently available Au/Pt thermocouples related to the valid reference function

    Directory of Open Access Journals (Sweden)

    Edler F.

    2015-01-01

    Full Text Available Au/Pt thermocouples are considered to be an alternative to High Temperature Standard Platinum Resistance Thermometers (HTSPRTs for realizing temperatures according to the International Temperature Scale of 1990 (ITS-90 in the temperature range between aluminium (660.323 °C and silver (961.78 °C. The original aim of this work was to develop and to validate a new reference function for Au/Pt thermocouples which reflects the properties of presently commercially available Au and Pt wires. The thermoelectric properties of 16 Au/Pt thermocouples constructed at different National Metrological Institutes by using wires from different suppliers and 4 commercially available Au/Pt thermocouples were investigated. Most of them exhibit significant deviations from the current reference function of Au/Pt thermocouples caused by the poor performance of the Au-wires available. Thermoelectric homogeneity was investigated by measuring immersion profiles during freezes at the freezing point of silver and in liquid baths. The thermoelectric inhomogeneities were found to be one order of magnitude larger than those of Au/Pt thermocouples of the Standard Reference Material® (SRM® 1749. The improvement of the annealing procedure of the gold wires is a key process to achieve thermoelectric homogeneities in the order of only about (2–3 mK, sufficient to replace the impracticable HTSPRTs as interpolation instruments of the ITS-90. Comparison measurements of some of the Au/Pt thermocouples against a HTSPRT and an absolutely calibrated radiation thermometer were performed and exhibit agreements within the expanded measurement uncertainties. It has been found that the current reference function of Au/Pt thermocouples reflects adequately the thermoelectric properties of currently available Au/Pt thermocouples.

  9. Thermoelectric properties of the 3C, 2H, 4H, and 6H polytypes of the wide-band-gap semiconductors SiC, GaN, and ZnO

    Directory of Open Access Journals (Sweden)

    Zheng Huang

    2015-09-01

    Full Text Available We have investigated the thermoelectric properties of the 3C, 2H, 4H, and 6H polytypes of the wide-band-gap(n-type semiconductors SiC, GaN, and ZnO based on first-principles calculations and Boltzmann transport theory. Our results show that the thermoelectric performance increases from 3C to 6H, 4H, and 2H structures with an increase of hexagonality for SiC. However, for GaN and ZnO, their power factors show a very weak dependence on the polytype. Detailed analysis of the thermoelectric properties with respect to temperature and carrier concentration of 4H-SiC, 2H-GaN, and 2H-ZnO shows that the figure of merit of these three compounds increases with temperature, indicating the promising potential applications of these thermoelectric materials at high temperature. The significant difference of the polytype-dependent thermoelectric properties among SiC, GaN, and ZnO might be related to the competition between covalency and ionicity in these semiconductors. Our calculations may provide a new way to enhance the thermoelectric properties of wide-band-gap semiconductors through atomic structure design, especially hexagonality design for SiC.

  10. Simultaneous control of thermoelectric properties in p- and n-type materials by electric double-layer gating: New design for thermoelectric device

    Science.gov (United States)

    Takayanagi, Ryohei; Fujii, Takenori; Asamitsu, Atsushi

    2015-05-01

    We report a novel design of a thermoelectric device that can control the thermoelectric properties of p- and n-type materials simultaneously by electric double-layer gating. Here, p-type Cu2O and n-type ZnO were used as the positive and negative electrodes of the electric double-layer capacitor structure. When a gate voltage was applied between the two electrodes, holes and electrons accumulated on the surfaces of Cu2O and ZnO, respectively. The thermopower was measured by applying a thermal gradient along the accumulated layer on the electrodes. We demonstrate here that the accumulated layers worked as a p-n pair of the thermoelectric device.

  11. Microstructure and thermoelectric properties of β-FeSi2 ceramics fabricated by hot-pressing and spark plasma sintering

    International Nuclear Information System (INIS)

    Qu Xiurong; Lue Shuchen; Hu Jianmin; Meng Qingyu

    2011-01-01

    Highlights: → With increasing hot-pressing (HP) temperature, the thermoelectric figure of merit of β-FeSi 2 ceramics is improved slightly. → The grain size of the sample sintered by the spark plasma sintering (SPS) process is smaller than that by the HP process. → The SPS sample shows excellent thermoelectric performance attributed to low thermal conductivity. - Abstract: The microstructure and thermoelectric properties of β-FeSi 2 ceramics by hot pressing (HP) and spark plasma sintering (SPS) are investigated. With increasing hot-pressing temperature, the density, electronic conductivity and thermal conductivity of the samples increase significantly, the thermoelectric figure of merit is improved slightly. The microstructure study indicates that the sizes of the β-FeSi 2 and ε-FeSi phases in the sample sintered by the SPS process are smaller than that by the HP process. The SPS sample shows excellent thermoelectric performance due to the low thermal conductivity.

  12. High temperature thermoelectric properties of strontium titanate thin films with oxygen vacancy and niobium doping

    KAUST Repository

    Sarath Kumar, S. R.

    2013-08-14

    We report the evolution of high temperature thermoelectric properties of SrTiO3 thin films doped with Nb and oxygen vacancies. Structure-property relations in this important thermoelectric oxide are elucidated and the variation of transport properties with dopant concentrations is discussed. Oxygen vacancies are incorporated during growth or annealing in Ar/H2 above 800 K. An increase in lattice constant due to the inclusion of Nb and oxygen vacancies is found to result in an increase in carrier density and electrical conductivity with simultaneous decrease in carrier effective mass and Seebeck coefficient. The lattice thermal conductivity at 300 K is found to be 2.22 W m-1 K-1, and the estimated figure of merit is 0.29 at 1000 K. © 2013 American Chemical Society.

  13. High temperature thermoelectric properties of strontium titanate thin films with oxygen vacancy and niobium doping

    KAUST Repository

    Sarath Kumar, S. R.; Barasheed, Abeer Z.; Alshareef, Husam N.

    2013-01-01

    We report the evolution of high temperature thermoelectric properties of SrTiO3 thin films doped with Nb and oxygen vacancies. Structure-property relations in this important thermoelectric oxide are elucidated and the variation of transport properties with dopant concentrations is discussed. Oxygen vacancies are incorporated during growth or annealing in Ar/H2 above 800 K. An increase in lattice constant due to the inclusion of Nb and oxygen vacancies is found to result in an increase in carrier density and electrical conductivity with simultaneous decrease in carrier effective mass and Seebeck coefficient. The lattice thermal conductivity at 300 K is found to be 2.22 W m-1 K-1, and the estimated figure of merit is 0.29 at 1000 K. © 2013 American Chemical Society.

  14. Effect of Synthesis Procedure on Thermoelectric Property of SiGe Alloy

    Science.gov (United States)

    Li, Jing; Han, Jun; Jiang, Tao; Luo, Lili; Xiang, Yongchun

    2018-05-01

    SiGe thermoelectric material has been synthesized by ball milling combined with hot pressing (HP) or spark plasma sintering (SPS). Effects of ball milling time, powder to ball weight ratio and sintering method on microstructure and thermoelectric properties of SiGe are studied. The results show that longer ball milling time leads to decreased density and worse electrical properties. In the sintering process, SPS results in much larger density and better electrical properties than HP. The Si0.795Ge0.2B0.005 sample prepared by 2 h ball milling combined with SPS obtains a maximum power factor of 3.0 mW m-1 K-2 at 860 K and ZT of 0.95 at 1000 K.

  15. Electrical and thermoelectric properties of different compositions of Ge–Se–In thin films

    Energy Technology Data Exchange (ETDEWEB)

    Aly, K.A., E-mail: kamalaly2001@gmail.com [Physics Department, Faculty of Science and Arts Khulais, University of Jeddah (Saudi Arabia); Physics Department, Faculty of Science, Al-Azhar University, Assiut Branch, Assiut (Egypt); Dahshan, A., E-mail: adahshan73@gmail.com [Department of Physics, Faculty of Science, Port Said University, Port Said (Egypt); Department of Physics, Faculty of Science for Girls, King Khalid University, Abha (Saudi Arabia); Abbady, Gh. [Department of Physics, Faculty of Science, Assuit University, Assuit (Egypt); Saddeek, Y. [Physics Department, Faculty of Science, Al-Azhar University, Assiut Branch, Assiut (Egypt)

    2016-09-15

    The effect of temperature in the range of 300–450 K and the indium content on the electrical and thermoelectric properties of Ge{sub 20}Se{sub 80−x}In{sub x} (0.0≤x≤24 at%) chalcogenide glassy thin films have been studied. From dc electrical and thermoelectric measurements, it was observed that the activation energies for electrical conductivity (ΔE) and for thermoelectric (ΔE{sub s}) decrease while the conductivity (σ) and Seebeck coefficient (S) increase upon introducing In into the Ge–Se glasses. In contrast to the behavior obtained with Bi or Pb doping, In incorporated in Ge–Se does not lead to a p-to n-type conduction inversion. The power factor (P) which is strongly depends on both of the Seebeck coefficient and the electrical conductivity. According to the obtained results, the Ge{sub 20}Se{sub 80−x}In{sub x} films can be considered potential candidates for incurring high action thermoelectric materials.

  16. Effect of high fluence neutron irradiation on transport properties of thermoelectrics

    Science.gov (United States)

    Wang, H.; Leonard, K. J.

    2017-07-01

    Thermoelectric materials were subjected to high fluence neutron irradiation in order to understand the effect of radiation damage on transport properties. This study is relevant to the NASA Radioisotope Thermoelectric Generator (RTG) program in which thermoelectric elements are exposed to radiation over a long period of time in space missions. Selected n-type and p-type bismuth telluride materials were irradiated at the High Flux Isotope Reactor with a neutron fluence of 1.3 × 1018 n/cm2 (E > 0.1 MeV). The increase in the Seebeck coefficient in the n-type material was partially off-set by an increase in electrical resistivity, making the power factor higher at lower temperatures. For the p-type materials, although the Seebeck coefficient was not affected by irradiation, electrical resistivity decreased slightly. The figure of merit, zT, showed a clear drop in the 300-400 K range for the p-type material and an increase for the n-type material. Considering that the p-type and n-type materials are connected in series in a module, the overall irradiation damages at the device level were limited. These results, at neutron fluences exceeding a typical space mission, are significant to ensure that the radiation damage to thermoelectrics does not affect the performance of RTGs.

  17. The preparation and thermoelectric properties of molten salt electrodeposited boron wafers

    International Nuclear Information System (INIS)

    Kumashiro, Y.; Ozaki, S.; Sato, K.; Kataoka, Y.; Hirata, K.; Yokoyama, T.; Nagatani, S.; Kajiyama, K.

    2004-01-01

    We have prepared electrodeposited boron wafer by molten salts with KBF 4 -KF at 680 deg. C using graphite crucible for anode and silicon wafer and nickel plate for cathodes. Experiments were performed by various molar ratios KBF 4 /KF and current densities. Amorphous p-type boron wafers with purity 87% was deposited on nickel plate for 1 h. Thermal diffusivity by ring-flash method and heat capacity by DSC method produced thermal conductivity showing amorphous behavior in the entire temperature range. The systematical results on thermoelectric properties were obtained for the wafers prepared with KBF 4 -KF (66-34 mol%) under various current densities in the range 1-2 A/cm 2 . The temperature dependencies of electrical conductivity showed thermal activated type with activation energy of 0.5 eV. Thermoelectric power tended to increase with increasing temperature up to high temperatures with high values of (1-10) mV/K. Thermoelectric figure-of-merit was 10 -4 /K at high temperatures. Estimated efficiency of thermoelectric energy conversion would be calculated to be 4-5%

  18. Fabrication and thermoelectric properties of highly textured NaCo2O4 ceramic

    International Nuclear Information System (INIS)

    Cheng Jinguang; Sui Yu; Fu Haijin; Lu Zhe; Wei Bo; Qian Zhengnan; Miao Jipeng; Liu Zhiguo; Huang Xiqiang; Zhu Ruibin; Wang Xianjie; Su Wenhui

    2006-01-01

    Highly textured NaCo 2 O 4 polycrystalline sample was fabricated by means of the cold high-pressure compacting followed by the solid-state reaction. X-ray diffraction and scanning electron microscope were employed to show that the plate-like grains within the sample are aligned along the pressing direction. The resistivity ρ and thermoelectric power S along the preferred {0 0 1} plane were measured in the whole temperature range from 15 to 973 K in air and the correlation between thermoelectric properties and texture was investigated. It was found that both ρ and S exhibit metallic behavior in the whole temperature range and the above sample exhibits lower ρ and higher S due to high texture and density. The power factor exhibits a steep rise above 400 K and reaches 761 μW m -1 K -2 at 973 K, suggesting a promising candidate for thermoelectric application at higher temperature. The change of slope in both resistivity and thermoelectric power curves at about 450 K might arise from the spin-state transition of Co ions in the CoO 2 blocks

  19. Colligative thermoelectric transport properties in n-type filled CoSb{sub 3} determined by guest electrons in a host lattice

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Young Soo, E-mail: yslim@pknu.ac.kr, E-mail: wsseo@kicet.re.kr, E-mail: pmoka@lgchem.com [Department of Materials System Engineering, Pukyong National University, Busan 48547 (Korea, Republic of); Park, Kwan-Ho; Tak, Jang Yeul; Lee, Soonil; Seo, Won-Seon, E-mail: yslim@pknu.ac.kr, E-mail: wsseo@kicet.re.kr, E-mail: pmoka@lgchem.com [Energy and Environmental Division, Korea Institute of Ceramic Engineering and Technology (KICET), Jinju 52851 (Korea, Republic of); Park, Cheol-Hee, E-mail: yslim@pknu.ac.kr, E-mail: wsseo@kicet.re.kr, E-mail: pmoka@lgchem.com; Kim, Tae Hoon; Park, PumSuk [LG Chem/Research Park, Daejeon 34122 (Korea, Republic of); Kim, Il-Ho [Department of Materials Science and Engineering, Korea National University of Transportation, Chungju 27909 (Korea, Republic of); Yang, Jihui [Department of Materials Science and Engineering, University of Washington, Seattle, Washington 98195 (United States)

    2016-03-21

    Among many kinds of thermoelectric materials, CoSb{sub 3} has received exceptional attention for automotive waste heat recovery. Its cage structure provides an ideal framework for the realization of phonon-glass electron-crystal strategy, and there have been numerous reports on the enhanced thermoelectric performance through the independent control of the thermal and electrical conductivity by introducing fillers into its cage sites. Herein, we report colligative thermoelectric transport properties in n-type CoSb{sub 3} from the viewpoint of “guest electrons in a host lattice.” Both the Seebeck coefficient and the charge transport properties are fundamentally determined by the concentration of the guest electrons, which are mostly donated by the fillers, in the conduction band of the host CoSb{sub 3}. Comparing this observation to our previous results, colligative relations for both the Seebeck coefficient and the mobility were deduced as functions of the carrier concentration, and thermoelectric transport constants were defined to predict the power factor in filled CoSb{sub 3}. This discovery not only increases the degree of freedom for choosing a filler but also provides the predictability of power factor in designing and engineering the n-type filled CoSb{sub 3} materials.

  20. Colligative thermoelectric transport properties in n-type filled CoSb3 determined by guest electrons in a host lattice

    International Nuclear Information System (INIS)

    Lim, Young Soo; Park, Kwan-Ho; Tak, Jang Yeul; Lee, Soonil; Seo, Won-Seon; Park, Cheol-Hee; Kim, Tae Hoon; Park, PumSuk; Kim, Il-Ho; Yang, Jihui

    2016-01-01

    Among many kinds of thermoelectric materials, CoSb 3 has received exceptional attention for automotive waste heat recovery. Its cage structure provides an ideal framework for the realization of phonon-glass electron-crystal strategy, and there have been numerous reports on the enhanced thermoelectric performance through the independent control of the thermal and electrical conductivity by introducing fillers into its cage sites. Herein, we report colligative thermoelectric transport properties in n-type CoSb 3 from the viewpoint of “guest electrons in a host lattice.” Both the Seebeck coefficient and the charge transport properties are fundamentally determined by the concentration of the guest electrons, which are mostly donated by the fillers, in the conduction band of the host CoSb 3 . Comparing this observation to our previous results, colligative relations for both the Seebeck coefficient and the mobility were deduced as functions of the carrier concentration, and thermoelectric transport constants were defined to predict the power factor in filled CoSb 3 . This discovery not only increases the degree of freedom for choosing a filler but also provides the predictability of power factor in designing and engineering the n-type filled CoSb 3 materials.

  1. Thermoelectric properties of In-substituted Ge-based clathrates prepared by HPHT

    Directory of Open Access Journals (Sweden)

    Binwu Liu

    2018-03-01

    Full Text Available Bulk materials Ba8Ga16InxGe30-x (x = 0.5, 1.0, 1.5 were prepared by High-Pressure and High-Temperature (HPHT method and the crystal structure has been confirmed by X-ray diffraction and cell refinement. The actual In composition was much lower than the starting composition, and lattice constants increased with the increase of substitution. As the temperature increased, the Seebeck coefficient and electrical resistivity increased first and then decreased, while the thermal conductivity was the opposite, which leads to significant enhancement on thermoelectric properties of the clathrates. The substitution of indium elements decreased the seebeck coefficient and electrical resistivity, and also changed the microstructure of the compounds. A minimum thermal conductivity of 0.84 Wm−1K−1 was obtained, and a good ZT value of 0.52 was achieved. The grain boundaries and lattice defects generated by high pressure can effectively scatter phonons of different frequencies, which reduce the lattice thermal conductivity.

  2. Major enhancement of the thermoelectric performance in Pr/Nb-doped SrTiO3 under strain

    KAUST Repository

    Amin, B.

    2013-07-16

    The electronic structure and thermoelectric properties of strained (biaxially and uniaxially) Sr0.95Pr0.05TiO3 and SrTi0.95Nb0.05O3 are investigated in the temperature range from 300 K to 1200 K. Substitutions of Pr at the Sr site and Nb at the Ti site generate n-type doping and thus improve the thermoelectric performance as compared to pristine SrTiO3. Further enhancement is achieved by the application of strain, for example, of the Seebeck coefficient by 21% for Sr0.95Pr0.05TiO3 and 10% for SrTi0.95Nb0.05O3 at room temperature in the case of 5% biaxial strain. At 1200 K, we predict figures of merit of 0.58 and 0.55 for 2.5% biaxially strained Sr0.95Pr0.05TiO3 and SrTi0.95Nb0.05O3 , respectively, which are the highest values reported for rare earth doped SrTiO3.

  3. Modeling the transport properties of epitaxially grown thermoelectric oxide thin films using spectroscopic ellipsometry

    KAUST Repository

    Sarath Kumar, S. R.

    2012-02-01

    The influence of oxygen vacancies on the transport properties of epitaxial thermoelectric (Sr,La)TiO3 thin films is determined using electrical and spectroscopic ellipsometry (SE) measurements. Oxygen vacancy concentration was varied by ex-situ annealing in Ar and Ar/H2. All films exhibited degenerate semiconducting behavior, and electrical conductivity decreased (258–133 S cm−1) with increasing oxygen content. Similar decrease in the Seebeck coefficient is observed and attributed to a decrease in effective mass (7.8–3.2 me ), as determined by SE. Excellent agreement between transport properties deduced from SE and direct electrical measurements suggests that SE is an effective tool for studying oxide thin film thermoelectrics.

  4. Modeling the transport properties of epitaxially grown thermoelectric oxide thin films using spectroscopic ellipsometry

    KAUST Repository

    Sarath Kumar, S. R.; Abutaha, Anas I.; Hedhili, Mohamed N.; Alshareef, Husam N.

    2012-01-01

    The influence of oxygen vacancies on the transport properties of epitaxial thermoelectric (Sr,La)TiO3 thin films is determined using electrical and spectroscopic ellipsometry (SE) measurements. Oxygen vacancy concentration was varied by ex-situ annealing in Ar and Ar/H2. All films exhibited degenerate semiconducting behavior, and electrical conductivity decreased (258–133 S cm−1) with increasing oxygen content. Similar decrease in the Seebeck coefficient is observed and attributed to a decrease in effective mass (7.8–3.2 me ), as determined by SE. Excellent agreement between transport properties deduced from SE and direct electrical measurements suggests that SE is an effective tool for studying oxide thin film thermoelectrics.

  5. Preparation and Thermoelectric Properties of Graphite/Bi0.5Sb1.5Te3 Composites

    Science.gov (United States)

    Hu, Wenhua; Zhou, Hongyu; Mu, Xin; He, Danqi; Ji, Pengxia; Hou, Weikang; Wei, Ping; Zhu, Wanting; Nie, Xiaolei; Zhao, Wenyu

    2018-06-01

    Bismuth telluride zone-melting alloys are the most commercially used thermoelectric materials. However, the zone-melting ingots have weak machinability due to the strong preferred orientation. Here, non-textured graphite/Bi0.5Sb1.5Te3 (G/BST) composites were prepared by a powder metallurgy method combined with cold-pressing and annealing treatments. The composition, microstructure, and thermoelectric properties of the G/BST composites with different mass percentages of G were investigated. It was found that G addition could effectively reduce the thermal conductivity and slightly improve the electrical properties of the BST, which resulted in a large enhancement in the figure-of-merit, ZT. The largest ZT for the xG/BST composites with x = 0.05% reached 1.05 at 320 K, which is increased by 35% as compared with that of the G-free BST materials. This work provided an effective method for preparing non-textured Bi2Te3-based TE materials with a simple process, low cost, and large potential in scale production.

  6. Thermoelectric Properties of SnO2 Ceramics Doped with Sb and Zn

    DEFF Research Database (Denmark)

    Yanagiya, S.; Van Nong, Ngo; Xu, Jianxiao Jackie

    2011-01-01

    Polycrystalline SnO2-based samples (Sn0.97−x Sb0.03Zn x O2, x = 0, 0.01, 0.03) were prepared by solid-state reactions. The thermoelectric properties of SnO2 doped with Sb and Zn were investigated from 300 K to 1100 K. X-ray diffraction (XRD) analysis revealed all XRD peaks of all the samples...

  7. The Effect of (Ag, Ni, Zn)-Addition on the Thermoelectric Properties of Copper Aluminate

    DEFF Research Database (Denmark)

    Yanagiya, Shun-ichi; Van Nong, Ngo; Xu, Jianxiao Jackie

    2010-01-01

    Polycrystalline bulk copper aluminate Cu1-x-yAgxByAlO2 with B = Ni or Zn were prepared by spark plasma sintering and subsequent thermal treatment. The influence of partial substitution of Ag, Ni and Zn for Cu-sites in CuAlO2 on the high temperature thermoelectric properties has been studied......, indicating a significant improvement compared with the non-doped CuAlO2 sample...

  8. Thermoelectric properties of high electron concentration materials under large temperature gradients

    International Nuclear Information System (INIS)

    Bulat, L.P.; Stefansky, V.A.

    1994-01-01

    Theoretical methods of investigating of transport properties in solids under large temperature gradients are grounded. The nonlinear and non-local expressions for current density and heat flow are obtained with degenerated of current carriers gas. A number of new effects with large temperature gradients have been tested. Use of large temperature gradients leads to the increasing of the thermoelectric figure of merit. copyright 1995 American Institute of Physics

  9. Microstructure and mechanical properties of thermoelectric nanostructured n-type silicon-germanium alloys synthesized employing spark plasma sintering

    Energy Technology Data Exchange (ETDEWEB)

    Bathula, Sivaiah [CSIR-Network of Institutes for Solar Energy, CSIR-National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi 110012 (India); Department of Applied Physics, Delhi Technological University, Delhi (India); Gahtori, Bhasker; Tripathy, S. K.; Tyagi, Kriti; Srivastava, A. K.; Dhar, Ajay, E-mail: adhar@nplindia.org [CSIR-Network of Institutes for Solar Energy, CSIR-National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi 110012 (India); Jayasimhadri, M. [Department of Applied Physics, Delhi Technological University, Delhi (India)

    2014-08-11

    Owing to their high thermoelectric (TE) figure-of-merit, nanostructured Si{sub 80}Ge{sub 20} alloys are evolving as a potential replacement for their bulk counterparts in designing efficient radio-isotope TE generators. However, as the mechanical properties of these alloys are equally important in order to avoid in-service catastrophic failure of their TE modules, we report the strength, hardness, fracture toughness, and thermal shock resistance of nanostructured n-type Si{sub 80}Ge{sub 20} alloys synthesized employing spark plasma sintering of mechanically alloyed nanopowders of its constituent elements. These mechanical properties show a significant enhancement, which has been correlated with the microstructural features at nano-scale, delineated by transmission electron microscopy.

  10. Nanostructured Thermoelectric Oxides for Energy Harvesting Applications

    KAUST Repository

    Abutaha, Anas I.

    2015-11-24

    , additional B-site doping of A-site doped SrTiO3 films leads to a prominent reduction in the lattice thermal conductivity without limiting the electrical transport, and hence an improvement in the figure of merit is noticed. Fourth and last, the enhancement of thermoelectric properties of thermally robust, high quality SrTiO3-based superlattices is discussed. Beside the randomly distributed oxygen vacancies and extrinsic dopants, the structure of SrTiO3-based superlattices increases the scattering of phonons at the interfaces between the alternative layers, and hence reducing the thermal conductivity, which leads to a notable enhancement in the figure of merit.

  11. Significant enhancement in thermoelectric performance of nanostructured higher manganese silicides synthesized employing a melt spinning technique.

    Science.gov (United States)

    Muthiah, Saravanan; Singh, R C; Pathak, B D; Avasthi, Piyush Kumar; Kumar, Rishikesh; Kumar, Anil; Srivastava, A K; Dhar, Ajay

    2018-01-25

    The limited thermoelectric performance of p-type Higher Manganese Silicides (HMS) in terms of their low figure-of-merit (ZT), which is far below unity, is the main bottle-neck for realising an efficient HMS based thermoelectric generator, which has been recognized as the most promising material for harnessing waste-heat in the mid-temperature range, owing to its thermal stability, earth-abundant and environmentally friendly nature of its constituent elements. We report a significant enhancement in the thermoelectric performance of nanostructured HMS synthesized using rapid solidification by optimizing the cooling rates during melt-spinning followed by spark plasma sintering of the resulting melt-spun ribbons. By employing this experimental strategy, an unprecedented ZT ∼ 0.82 at 800 K was realized in spark plasma sintered 5 at% Al-doped MnSi 1.73 HMS, melt spun at an optimized high cooling rate of ∼2 × 10 7 K s -1 . This enhancement in ZT represents a ∼25% increase over the best reported values thus far for HMS and primarily originates from a nano-crystalline microstructure consisting of a HMS matrix (20-40 nm) with excess Si (3-9 nm) uniformly distributed in it. This nanostructure, resulting from the high cooling rates employed during the melt-spinning of HMS, introduces a high density of nano-crystallite boundaries in a wide spectrum of nano-scale dimensions, which scatter the low-to-mid-wavelength heat-carrying phonons. This abundant phonon scattering results in a significantly reduced thermal conductivity of ∼1.5 W m -1 K -1 at 800 K, which primarily contributes to the enhancement in ZT.

  12. Synthesis, Processing, and Thermoelectric Properties of Germanium-Antimony-Tellurium Based Compounds and Alloys

    Science.gov (United States)

    Williams, Jared Brett

    Society has become increasingly more aware of the negative impacts which nonrenewable energy sources have on the environment, and therefore the search for new and more efficient means of energy production has become an important research endeavor. Thermoelectric modules possess the unique ability to convert wasted heat into useful electrical energy via solid state processes, which could vastly improve the efficiency of a number of applications. The materials which accomplish this are typically comprised of semiconductors which exhibit high electrical conductivity, Seebeck coefficient, and thermal resistivity. Together these properties give us a gauge for the overall efficiency of the thermal to electrical energy conversion. Phase change materials are a class of materials primarily used for optical data storage in CDs, DVDs, and Blu-Ray discs. Today's state of the art phase change materials are based on alloys of GeTe and Sb2Te3. These materials have also been found to exhibit high thermoelectric efficiencies. These high efficiencies stem from their complex crystal structure and degenerate semiconducting nature. The purpose of this work was to study and engineer the thermoelectric properties of various alloys and compounds which belong to this family of materials. Specifically studied were the compounds Ge4SbTe5 and Ge17Sb2Te20. In each case various synthesis and processing strategies were implemented to increase the thermoelectric performance and better understand the fundamental electrical and thermal properties. Finally various proposals for future work on these materials are presented, all of which are based on the findings described herein.

  13. Enhancement in figure-of-merit with superlattices structures for thin-film thermoelectric devices

    Energy Technology Data Exchange (ETDEWEB)

    Venkatasubramanian, R; Colpitts, T

    1997-07-01

    Thin-film superlattice (SL) structures in thermoelectric materials are shown to be a promising approach to obtaining an enhanced figure-of-merit, ZT, compared to conventional, state-of-the-art bulk alloyed materials. In this paper the authors describe experimental results on Bi{sub 2}Te{sub 3}/Sb{sub 2}Te{sub 3} and Si/Ge SL structures, relevant to thermoelectric cooling and power conversion, respectively. The short-period Bi{sub 2}Te{sub 3} and Si/Ge SL structures appear to indicate reduced thermal conductivities compared to alloys of these materials. From the observed behavior of thermal conductivity values in the Bi{sub 2}Te{sub 3}/Sb{sub 2}Te{sub 3} SL structures, a distinction is made where certain types of periodic structures may correspond to an ordered alloy rather than an SL, and therefore, do not offer a significant reduction in thermal conductivity values. The study also indicates that SL structures, with little or weak quantum-confinement, also offer an improvement in thermoelectric power factor over conventional alloys. They present power factor and electrical transport data in the plane of the SL interfaces to provide preliminary support for the arguments on reduced alloy scattering and impurity scattering in Bi{sub 2}Te{sub 3}/Sb{sub 2}Te{sub 3} and Si/Ge SL structures. These results, though tentative due to the possible role of the substrate and the developmental nature of the 3-{omega} method used to determine thermal conductivity values, suggest that the short-period SL structures potentially offer factorial improvements in the three-dimensional figure-of-merit (ZT3D) compared to current state-of-the-art bulk alloys. An approach to a thin-film thermoelectric device called a Bipolarity-Assembled, Series-Inter-Connected Thin-Film Thermoelectric Device (BASIC-TFTD) is introduced to take advantage of these thin-film SL structures.

  14. Thermoelectric properties and nanostructures of materials prepared from rice husk ash

    Energy Technology Data Exchange (ETDEWEB)

    Pukird, S.; Tipparach, U.; Kasian, P. [Ubon Ratchathani Univ., Ubon Ratchathani (Thailand). Dept. of Physics; Limsuwan, P. [King Mongkut' s Univ. of Technology Thonburi, Bangkok (Thailand). Dept. of Physics

    2009-07-01

    Thailand produces large amounts of agricultural residues such as rice husk and coconut shells. Rice husk is considered to be a potential source for solar grade silicon. Studies have shown that reasonably pure polycrystalline silicon can be prepared from rice husk white ash by a metallothermic reduction process. This paper reported on a study that investigated the thermoelectric properties of ceramic material prepared by mixing silica from rice husk ash and carbon obtained from coconut shell charcoal. The thermoelectric properties of the materials were examined along with their microstructures. The materials were made from burning rice husk ash and coconut shell at different temperatures and then doped with metal oxides. Pellets were heated at temperature of 700 degrees C for 1-3 hours. The voltage on both sides of the pellets was observed. The electromotive force was found when different temperatures were applied on both sides of the pellet specimens. The Seebeck coefficient was then calculated. The results showed that these materials can be used as thermoelectric devices. Scanning electron microscope (SEM) and energy dispersive X-rays (EDX) were used to investigate the source of materials and the products on the substrates. The images of SEM and EDX showed nanostructures of materials such as nanowires, nanorods and nanoparticles of the products and sources. 22 refs., 2 tabs., 9 figs.

  15. Synthesis, thermal behavior and thermoelectric properties of disordered tellurides with structures derived from the rocksalt type

    Energy Technology Data Exchange (ETDEWEB)

    Schroeder, Thorsten

    2014-06-17

    GeBi{sub 2}Te{sub 4} is proposed as phase-change material. Nanostructures in metastable GeBi{sub 2}Te{sub 4} were obtained by high-pressure synthesis and thermal quenching, - depending on temperature and pressure different modifications were found. The differences in the electrical characteristics can be attributed to the variation of grain boundary concentration and the grain size distribution. Two synthesis approaches were used to prepare Ag{sub 3.4}In{sub 3.7}Sb{sub 76.4}Te{sub 16.5} bulk samples and studied with respect to their transport and thermal properties. A high pressure route to prepare thermoelectrics with low thermal conductivity was developed for AgIn{sub x}Sb{sub 1-x}Te{sub 2}. Disorder and and transport studies on In{sub 3}SbTe{sub 2} were performed using X-ray, neutron and electron diffraction measurements. Nanostructures in Te/Sb/Ge/Ag (TAGS) thermoelectric materials were induced by phase transitions associated with vacancy ordering. Further studies concerned solid solution series (GeTe){sub x}(LiSbTe{sub 2}){sub 2} (1 smaller or equal x smaller or equal 11) and their thermoelectric properties.

  16. Some thermoelectric properties of the light rare earth sesquiselenides (R2Se/sub 3-x/)

    International Nuclear Information System (INIS)

    Takeshita, T.; Beaudry, B.J.; Gschneidner, K.A. Jr.

    1981-01-01

    Rare earth sesquiselenides of the Th 3 P 4 structure show variable electric properties over their homogeneity range, i.e., ranging from metallic (R 3 Se 4 ) to semimetallic (R 2 Se/sub 3-x/, where 0.14 > x > 0) to semiconducting (R 2 Se 3 ). The composition change is due to the formation of metal vacancies in the Th 3 P 4 structure with no vacancies at R 3 Se 4 and 4.75 at. % vacancies at R 2 Se 3 . The rare earth sesquiselenides are also refractory materials and therefore are of interest for high temperature thermoelectric applications. Preliminary results of thermoelectric power and electrical resistivity measurements on the light lanthanide sesquiselenides (La through Sm) are presented

  17. Doping site dependent thermoelectric properties of epitaxial strontium titanate thin films

    KAUST Repository

    Abutaha, Anas I.; Sarath Kumar, S. R.; Mehdizadeh Dehkordi, Arash; Tritt, Terry M.; Alshareef, Husam N.

    2014-01-01

    We demonstrate that the thermoelectric properties of epitaxial strontium titanate (STO) thin films can be improved by additional B-site doping of A-site doped ABO3 type perovskite STO. The additional B-site doping of A-site doped STO results in increased electrical conductivity, but at the expense of Seebeck coefficient. However, doping on both sites of the STO lattice significantly reduces the lattice thermal conductivity of STO by adding more densely and strategically distributed phononic scattering centers that attack wider phonon spectra. The additional B-site doping limits the trade-off relationship between the electrical conductivity and total thermal conductivity of A-site doped STO, leading to an improvement in the room-temperature thermoelectric figure of merit, ZT. The 5% Pr3+ and 20% Nb5+ double-doped STO film exhibits the best ZT of 0.016 at room temperature. This journal is

  18. Importance of non-parabolic band effects in the thermoelectric properties of semiconductors

    Science.gov (United States)

    Chen, Xin; Parker, David; Singh, David J.

    2013-01-01

    We present an analysis of the thermoelectric properties of of n-type GeTe and SnTe in relation to the lead chalcogenides PbTe and PbSe. We find that the singly degenerate conduction bands of semiconducting GeTe and SnTe are highly non-ellipsoidal, even very close to the band edges. This leads to isoenergy surfaces with a strongly corrugated shape that is clearly evident at carrier concentrations well below 0.005 e per formula unit (7–9 × 1019 cm−3 depending on material). Analysis within Boltzmann theory suggests that this corrugation may be favorable for the thermoelectric transport. Our calculations also indicate that values of the power factor for these two materials may well exceed those of PbTe and PbSe. As a result these materials may exhibit n-type performance exceeding that of the lead chalcogenides. PMID:24196778

  19. Improvement of thermoelectric properties for half-Heusler TiNiSn by interstitial Ni defects

    International Nuclear Information System (INIS)

    Hazama, Hirofumi; Matsubara, Masato; Asahi, Ryoji; Takeuchi, Tsunehiro

    2011-01-01

    We have synthesized off-stoichiometric Ti-Ni-Sn half-Heusler thermoelectrics in order to investigate the relation between randomly distributed defects and thermoelectric properties. A small change in the composition of Ti-Ni-Sn causes a remarkable change in the thermal conductivity. An excess content of Ni realizes a low thermal conductivity of 2.93 W/mK at room temperature while keeping a high power factor. The low thermal conductivity originates in the defects generated by an excess content of Ni. To investigate the detailed defect structure, we have performed first-principles calculations and compared with x ray photoemission spectroscopy measurement. Based on these analyses, we conclude that the excess Ni atoms randomly occupy the vacant sites in the half-Heusler structure, which play as phonon scattering centers, resulting in significant improvement of the figure of merit without any substitutions of expensive heavy elements, such as Zr and Hf.

  20. Electronic, optical, and thermoelectric properties of Fe2+xV1−xAl

    Directory of Open Access Journals (Sweden)

    D. P. Rai

    2017-04-01

    Full Text Available We report the electronic, optical, and thermoelectric properties of full-Heusler alloy Fe2VAl with Fe antisite doping (Fe2+xV1−xAl as obtained from the first-principles Tran-Blaha modified Becke-Johnson potential. The results are discussed in relation to the available experimental data and show good agreements for the band gap, magnetic moment, and optical spectra. Exploring our transport data for thermoelectric applicability suggest that Fe2+xV1−xAl is a good candidate with a high figure of merit (ZT 0.75(0.65 for x = 0.25(0.50 at room temperature.

  1. Crystal orientation dependent thermoelectric properties of highly oriented aluminum-doped zinc oxide thin films

    KAUST Repository

    Abutaha, Anas I.

    2013-02-06

    We demonstrate that the thermoelectric properties of highly oriented Al-doped zinc oxide (AZO) thin films can be improved by controlling their crystal orientation. The crystal orientation of the AZO films was changed by changing the temperature of the laser deposition process on LaAlO3 (100) substrates. The change in surface termination of the LaAlO3 substrate with temperature induces a change in AZO film orientation. The anisotropic nature of electrical conductivity and Seebeck coefficient of the AZO films showed a favored thermoelectric performance in c-axis oriented films. These films gave the highest power factor of 0.26 W m−1 K−1 at 740 K.

  2. High thermoelectric properties of (Sb, Bi)2Te3 nanowire arrays by tilt-structure engineering

    Science.gov (United States)

    Tan, Ming; Hao, Yanming; Deng, Yuan; Chen, Jingyi

    2018-06-01

    In this paper, we present an innovative tilt-structure design concept for (Sb, Bi)2Te3 nanowire array assembled by high-quality nanowires with well oriented growth, utilizing a simple vacuum thermal evaporation technique. The unusual tilt-structure (Sb, Bi)2Te3 nanowire array with a tilted angle of 45° exhibits a high thermoelectric dimensionless figure-of-merit ZT = 1.72 at room temperature. The relatively high ZT value in contrast to that of previously reported (Sb, Bi)2Te3 materials and the vertical (Sb, Bi)2Te3 nanowire arrays evidently reveals the crucial role of the unique tilt-structure in favorably influencing carrier and phonon transport properties, resulting in a significantly improved ZT value. The transport mechanism of such tilt-structure is proposed and investigated. This method opens a new approach to optimize nano-structure in thin films for next-generation thermoelectric materials and devices.

  3. Final Technical Report: Thermoelectric-Enhanced Cookstove Add-on (TECA) for Clean Biomass Cookstoves

    Energy Technology Data Exchange (ETDEWEB)

    Stokes, David [RTI International, Research Triangle Park, NC (United States)

    2015-09-29

    This program seeks to demonstrate a solution to enhance existing biomass cookstove performance through the use of RTI’s Thermoelectric Enhanced Cookstove Add-on (TECA) device. The self-powered TECA device captures a portion of heat from the stove and converts it to electricity through a thermoelectric (TE) device to power a blower. Colorado State University and Envirofit International are partners to support the air injection design and commercialization to enhance combustion in the stove and reduce emissions. Relevance: By demonstrating a proof of concept of the approach with the Envirofit M-5000 stove and TECA device, we hope to apply this technology to existing stoves that are already in use and reduce emissions for stoves that have already found user acceptance to provide a true health benefit. Challenges: The technical challenges include achieving Tier 4 emissions from a biomass stove and for such a stove to operate reliably in the harsh field environment. Additional challenges include the fact that it is difficult to develop a cost effective solution and insure adoption and proper use in the field. Outcomes: In this program we have demonstrated PM emissions at 82 mg/MJd, a 70% reduction as compared to baseline stove operation. We have also developed a stove optimization approach that reduces the number of costly experiments. We have evaluated component-level reliability and will be testing the stove prototype in the field for performance and reliability.

  4. Thermoelectric properties of WSi{sub 2}–Si{sub x}Ge{sub 1−x} composites

    Energy Technology Data Exchange (ETDEWEB)

    Dynys, F.W.; Sayir, A. [NASA Glenn Research Center, Cleveland, OH 44135 (United States); Mackey, J., E-mail: jam151@zips.uakron.edu [Department of Mechanical Engineering, University of Akron, Akron, OH 44325 (United States); Sehirlioglu, A. [Department of Materials Science and Engineering, Case Western Reserve University, Cleveland, OH 44106 (United States)

    2014-08-01

    Highlights: • We explore a novel W/Si/Ge composite system for thermoelectric applications. • The influence of crucible selection on electrical properties is investigated. • Introduction of W can reduce the expensive Ge component of the alloy. - Abstract: Thermoelectric properties of the W/Si/Ge alloy system have been investigated with varying concentration levels of germanium and tungsten. The alloys were fabricated by directional solidification with the Bridgman method using boron nitride and fused silica crucibles. The effect of crucible contamination was investigated and found to result in doping the system to suitable levels for thermoelectric applications. The system has been demonstrated as a suitable high temperature p-type thermoelectric material exhibiting high power factors, >3000 μW/m K{sup 2}. Seebeck coefficients of the system are on the order of +300 μV/K and electrical conductivities of 2.8 × 10{sup 4} S/m at the optimum operating temperature. The best composition, 0.9 at% W/9.3 at% Ge, achieved a figure of merit comparable to RTG values over the temperature range of interest. The results suggest that W addition can reduce the use of expensive Ge component of the alloy. Reported are the details of processing conditions, microstructure development, and temperature dependent thermoelectric properties. The material system was stable at the temperatures required for NASA’s radioisotope thermoelectric generators.

  5. Enhanced thermoelectric properties in p-type Bi{sub 0.4}Sb{sub 1.6}Te{sub 3} alloy by combining incorporation and doping using multi-scale CuAlO{sub 2} particles

    Energy Technology Data Exchange (ETDEWEB)

    Song, Zijun; Liu, Yuan; Zhou, Zhenxing; Lu, Xiaofang; Wang, Lianjun [State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Materials Science and Engineering, Donghua University, Shanghai (China); Institute of Functional Materials, Donghua University, Shanghai (China); Zhang, Qihao [State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai (China); University of Chinese Academy of Sciences, Beijing (China); Jiang, Wan [State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Materials Science and Engineering, Donghua University, Shanghai (China); Institute of Functional Materials, Donghua University, Shanghai (China); School of Material Science and Engineering, Jingdezhen Ceramic Institute, Jingdezhen (China); Chen, Lidong [State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai (China)

    2017-01-15

    Multi-scale CuAlO{sub 2} particles are introduced into the Bi{sub 0.4}Sb{sub 1.6}Te{sub 3} matrix to synergistically optimize the electrical conductivity, Seebeck coefficient, and the lattice thermal conductivity. Cu element originating from fine CuAlO{sub 2} grains diffuses into the Bi{sub 0.4}Sb{sub 1.6}Te{sub 3} matrix and tunes the carrier concentration while the coarse CuAlO{sub 2} particles survive as the second phase within the matrix. The power factor is improved at the whole temperatures range due to the low-energy electron filtering effect on Seebeck coefficient and enhanced electrical transport property by mild Cu doping. Meanwhile, the remaining CuAlO{sub 2} inclusions give rise to more boundaries and newly built interfaces scattering of heat-carrying phonons, resulting in the reduced lattice thermal conductivity. Consequently, the maximum ZT is found to be enhanced by 150% arising from the multi-scale microstructure regulation when the CuAlO{sub 2} content reaches 0.6 vol.%. Not only that, but the ZT curves get flat in the whole temperature range after introducing the multi-scale CuAlO{sub 2} particles, which leads to a remarkable increase in the average ZT. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  6. Development in Zn4Sb-based thermoelectric materials

    DEFF Research Database (Denmark)

    Yin, Hao

    or thermopower,  the electrical conductivity, the thermal conductivity and T the absolute temperature. The best thermoelectrics are heavily doped semiconductors with high thermoelectric power factors and low thermal conductivities, known as “Phonon Glasses Electrical Crystals”. Zn4Sb3 is one such material......-section. The following part reports the effect of nano-particles on the thermoelectric properties and thermal stability of Zn4Sb3. Though TiO2 nano particles have remarkably enhanced the stability, the thermoelectric performance of all the nano-composites deteriorates. Optimization of the content of the nano...

  7. Thermoelectric Properties for a Suspended Microribbon of Quasi-One-Dimensional TiS3

    Science.gov (United States)

    Sakuma, Tasuku; Nishino, Shunsuke; Miyata, Masanobu; Koyano, Mikio

    2018-06-01

    Transition-metal trichalcogenides MX3 (M = Ti, Zr, Nb, Ta; X = S, Se) are well-known inorganic quasi-one-dimensional conductors. Among them, we have investigated the thermoelectric properties of titanium trisulfide TiS3 microribbon. The electrical resistivity ρ, thermal conductivity κ, and thermoelectric power S were measured using 3 ω method. The weight mean values were found to be ρ = 5 mω m and κ = 10 W K-1 m-1 along the one-dimensional direction ( b-axis) of the TiS3 microribbon. Combined with the thermoelectric power S = -530 μV K-1, the figure of merit was calculated as ZT = 0.0023. This efficiency is the same as that of randomly oriented bulk TiS3. We also estimated the anisotropy of σ and κ using the present results and those for randomly oriented bulk material. The obtained weak anisotropy for TiS3 is attributable to strong coupling between triangular columns consisting of TiS3 units. These experimental results are consistent with theoretical results obtained using density functional theory (DFT) calculations.

  8. Thermoelectric Properties for a Suspended Microribbon of Quasi-One-Dimensional TiS3

    Science.gov (United States)

    Sakuma, Tasuku; Nishino, Shunsuke; Miyata, Masanobu; Koyano, Mikio

    2018-02-01

    Transition-metal trichalcogenides MX3 (M = Ti, Zr, Nb, Ta; X = S, Se) are well-known inorganic quasi-one-dimensional conductors. Among them, we have investigated the thermoelectric properties of titanium trisulfide TiS3 microribbon. The electrical resistivity ρ, thermal conductivity κ, and thermoelectric power S were measured using 3ω method. The weight mean values were found to be ρ = 5 mω m and κ = 10 W K-1 m-1 along the one-dimensional direction (b-axis) of the TiS3 microribbon. Combined with the thermoelectric power S = -530 μV K-1, the figure of merit was calculated as ZT = 0.0023. This efficiency is the same as that of randomly oriented bulk TiS3. We also estimated the anisotropy of σ and κ using the present results and those for randomly oriented bulk material. The obtained weak anisotropy for TiS3 is attributable to strong coupling between triangular columns consisting of TiS3 units. These experimental results are consistent with theoretical results obtained using density functional theory (DFT) calculations.

  9. The thermoelectric performance of bulk three-dimensional graphene

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Zhi, E-mail: yangzhi@tyut.edu.cn [Key Lab of Advanced Transducers and Intelligent Control System, Ministry of Education and Shanxi Province, Taiyuan University of Technology, Taiyuan 030024 (China); College of Physics and Optoelectronics, Taiyuan University of Technology, Taiyuan 030024 (China); Lan, Guoqiang; Ouyang, Bin [Department of Mining and Materials Engineering, McGill University, Montreal H3A 0C5 (Canada); Xu, Li-Chun; Liu, Ruiping [College of Physics and Optoelectronics, Taiyuan University of Technology, Taiyuan 030024 (China); Liu, Xuguang, E-mail: liuxuguang@tyut.edu.cn [Key Lab of Interface Science and Engineering in Advanced Materials, Ministry of Education, Taiyuan University of Technology, Taiyuan 030024 (China); College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024 (China); Song, Jun [Department of Mining and Materials Engineering, McGill University, Montreal H3A 0C5 (Canada)

    2016-11-01

    The electronic and thermoelectric properties of a new carbon bulk material, three-dimensional (3D) graphene, are investigated in this study. Our results show that 3D graphene has unique electronic structure, i.e., near the Fermi level there exist Dirac cones. More importantly, the thermoelectric performance of 3D graphene is excellent, at room temperature the thermoelectric figure of merit (ZT) is 0.21, an order of magnitude higher than that of graphene. By introducing line defects, the ZT of 3D graphene could be enhanced to 1.52, indicating 3D graphene is a powerful candidate for constructing novel thermoelectric materials. - Highlights: • There exist Dirac cones in three-dimensional (3D) graphene. • The thermoelectric performance of 3D graphene is excellent. • The defective 3D graphene has better thermoelectric performance.

  10. Advanced thermoelectric materials and systems for automotive applications in the next millennium

    Energy Technology Data Exchange (ETDEWEB)

    Morelli, D T

    1997-07-01

    A combination of environmental, economic, and technological drivers has led to a reassessment of the potential for using thermoelectric devices in several automotive applications. In order for this technology to achieve its ultimate potential, new materials with enhanced thermoelectric properties are required. Experimental results on the fundamental physical properties of some new thermoelectric materials, including filled skutterudites and 1-1-1 intermetallic semiconductors, are presented.

  11. Thermoelectric properties of PbSe₀.₅Te₀.₅: x (PbI₂) with endotaxial nanostructures: a promising n-type thermoelectric material.

    Science.gov (United States)

    Rawat, P K; Paul, B; Banerji, P

    2013-05-31

    In the present investigation, we report on the thermoelectric properties of PbSe₀.₅Te₀.₅: x (PbI₂) from room temperature to 625 K. High-resolution transmission electron micrographs of the samples reveal endotaxial nanostructures embedded in a PbSe₀.₅Te₀.₅ matrix. The combined effect of mass fluctuation and nanostructures reduces the thermal conductivity to a great extent compared to PbTe and PbSe, without affecting the carrier mobility. As a result, a thermoelectric figure of merit with a value of 1.5 is achieved at 625 K. This value is significantly higher than that of the available state-of-the-art n-type materials.

  12. Major enhancement of the thermoelectric performance in Pr/Nb-doped SrTiO3 under strain

    KAUST Repository

    Amin, B.; Alshareef, Husam N.; Schwingenschlö gl, Udo; Singh, Nirpendra; Tritt, T. M.

    2013-01-01

    site generate n-type doping and thus improve the thermoelectric performance as compared to pristine SrTiO3. Further enhancement is achieved by the application of strain, for example, of the Seebeck coefficient by 21% for Sr0.95Pr0.05TiO3 and 10% for Sr

  13. The Effects of Doping and Processing on the Thermoelectric Properties of Platinum Diantimonide Based Materials for Cryogenic Peltier Cooling Applications

    Science.gov (United States)

    Waldrop, Spencer Laine

    The study of thermoelectrics is nearly two centuries old. In that time a large number of applications have been discovered for these materials which are capable of transforming thermal energy into electricity or using electrical work to create a thermal gradient. Current use of thermoelectric materials is in very niche applications with contemporary focus being upon their capability to recover waste heat. A relatively undeveloped region for thermoelectric application is focused upon Peltier cooling at low temperatures. Materials based on bismuth telluride semiconductors have been the gold standard for close to room temperature applications for over sixty years. For applications below room temperature, semiconductors based on bismuth antimony reign supreme with few other possible materials. The cause of this diculty in developing new, higher performing materials is due to the interplay of the thermoelectric properties of these materials. The Seebeck coecient, which characterizes the phenomenon of the conversion of heat to electricity, the electrical conductivity, and the thermal conductivity are all interconnected properties of a material which must be optimized to generate a high performance thermoelectric material. While for above room temperature applications many advancements have been made in the creation of highly ecient thermoelectric materials, the below room temperature regime has been stymied by ill-suited properties, low operating temperatures, and a lack of research. The focus of this work has been to investigate and optimize the thermoelectric properties of platinum diantimonide, PtSb2, a nearly zero gap semiconductor. The electronic properties of PtSb2 are very favorable for cryogenic Peltier applications, as it exhibits good conductivity and large Seebeck coecient below 200 K. It is shown that both n- and p-type doping may be applied to this compound to further improve its electronic properties. Through both solid solution formation and processing

  14. Strain-induced enhancement of thermoelectric performance of TiS2 monolayer based on first-principles phonon and electron band structures

    Science.gov (United States)

    Li, Guanpeng; Yao, Kailun; Gao, Guoying

    2018-01-01

    Using first-principle calculations combined with Boltzmann transport theory, we investigate the biaxial strain effect on the electronic and phonon thermal transport properties of a 1 T (CdI2-type) structural TiS2 monolayer, a recent experimental two-dimensional (2D) material. It is found that the electronic band structure can be effectively modulated and that the band gap experiences an indirect-direct-indirect transition with increasing tensile strain. The band convergence induced by the tensile strain increases the Seebeck coefficient and the power factor, while the lattice thermal conductivity is decreased under the tensile strain due to the decreasing group velocity and the increasing scattering chances between the acoustic phonon modes and the optical phonon modes, which together greatly increase the thermoelectric performance. The figure of merit can reach 0.95 (0.82) at an 8 percent tensile strain for the p-type (n-type) doping, which is much larger than that without strain. The present work suggests that the TiS2 monolayer is a good candidate for 2D thermoelectric materials, and that biaxial strain is a powerful tool with which to enhance thermoelectric performance.

  15. Thermoelectric properties of Al doped Mg{sub 2}Si material

    Energy Technology Data Exchange (ETDEWEB)

    Kaur, Kulwinder, E-mail: kulwindercmp@gmail.com; Kumar, Ranjan [Department of Physics, Center of Advanced Study in Physics, Panjab University, Chandigarh-160 014 (India); Rani, Anita [Department of Physics, Center of Advanced Study in Physics, Panjab University, Chandigarh-160 014 (India); Guru Nanak College for Girls, Sri Muktsar Sahib, Punjab (India)

    2015-08-28

    In the present paper we have calculated thermoelectric properties of Al doped Mg{sub 2}Si material (Mg{sub 2−x}Al{sub x}Si, x=0.06) using Pseudo potential plane wave method based on DFT and Semi classical Boltzmann theory. The calculations showed n-type conduction, indicating that the electrical conduction are due to electron. The electrical conductivity increasing with increasing temperature and the negative value of Seebeck Coefficient also show that the conduction is due to electron. The thermal conductivity was increased slightly by Al doping with increasing temperature due to the much larger contribution of lattice thermal conductivity over electronic thermal conductivity.

  16. Investigation of electronic, magnetic and thermoelectric properties of Zr{sub 2}NiZ (Z = Al,Ga) ferromagnets

    Energy Technology Data Exchange (ETDEWEB)

    Yousuf, Saleem, E-mail: nengroosaleem17@gmail.com; Gupta, Dinesh C., E-mail: sosfizix@gmail.com

    2017-05-01

    Systematic investigation of impact of electronic structure and magnetism, on the thermoelectric properties of new Zr{sub 2}NiZ (Z = Al, Ga) Heusler alloys are determined using density functional theory calculations. Half-metallicity with ferromagnetic character is supported by their 100% spin polarizations at the Fermi level. Magnetic moment of ∼3 μ{sub B} is according to the Slater-Puling rule, enables their practical applications. Electron density plots are used to analyse the nature of bonding and chemical composition. Boltzmann's theory is conveniently employed to investigate the thermoelectric properties of these compounds. The analysis of the thermal transport properties specifies the Seebeck coefficient as 25.6 μV/K and 18.6 μV/K at room temperature for Zr{sub 2}NiAl and Zr{sub 2}NiGa, respectively. The half-metallic nature with efficient thermoelectric coefficients suggests the likelihood of these materials to have application in designing spintronic devices and imminent thermoelectric materials. - Highlights: • The compounds are half-metallic ferromagnets. • 100% spin-polarized compounds for spintronics. • Increasing Seebeck coefficient over a wide temperature range. • Zr{sub 2}NiAl is efficient thermoelectric material than Zr{sub 2}NiGa.

  17. Theoretical study of thermoelectric properties of few-layer MoS2 and WSe2.

    Science.gov (United States)

    Huang, Wen; Luo, Xin; Gan, Chee Kwan; Quek, Su Ying; Liang, Gengchiau

    2014-06-14

    Molybdenum disulfide (MoS2) and tungsten diselenide (WSe2) are prototypical layered two-dimensional transition metal dichalcogenide materials, with each layer consisting of three atomic planes. We refer to each layer as a trilayer (TL). We study the thermoelectric properties of 1-4TL MoS2 and WSe2 using a ballistic transport approach based on the electronic band structures and phonon dispersions obtained from first-principles calculations. Our results show that the thickness dependence of the thermoelectric properties is different under n-type and p-type doping conditions. Defining ZT1st peak as the first peak in the thermoelectric figure of merit ZT as doping levels increase from zero at 300 K, we found that ZT1st peak decreases as the number of layers increases for MoS2, with the exception of 2TL in n-type doping, which has a slightly higher value than 1TL. However, for WSe2, 2TL has the largest ZT1st peak in both n-type and p-type doping, with a ZT1st peak value larger than 1 for n-type WSe2. At high temperatures (T > 300 K), ZT1st peak dramatically increases when the temperature increases, especially for n-type doping. The ZT1st peak of n-type 1TL-MoS2 and 2TL-WSe2 can reach 1.6 and 2.1, respectively.

  18. High-temperature thermoelectric properties of the β-As2−xBixTe3 solid solution

    Directory of Open Access Journals (Sweden)

    J.-B. Vaney

    2016-10-01

    Full Text Available Bi2Te3-based compounds are a well-known class of outstanding thermoelectric materials. β-As2Te3, another member of this family, exhibits promising thermoelectric properties around 400 K when appropriately doped. Herein, we investigate the high-temperature thermoelectric properties of the β-As2−xBixTe3 solid solution. Powder X-ray diffraction and scanning electron microscopy experiments showed that a solid solution only exists up to x = 0.035. We found that substituting Bi for As has a beneficial influence on the thermopower, which, combined with extremely low thermal conductivity values, results in a maximum ZT value of 0.7 at 423 K for x = 0.017 perpendicular to the pressing direction.

  19. Revealing the optoelectronic and thermoelectric properties of the Zintl quaternary arsenides ACdGeAs{sub 2} (A = K, Rb)

    Energy Technology Data Exchange (ETDEWEB)

    Azam, Sikander; Khan, Saleem Ayaz [New Technologies—Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); Goumri-Said, Souraya, E-mail: Souraya.Goumri-Said@chemistry.gatech.edu [School of Chemistry and Biochemistry and Center for Organic Photonics and Electronics, Georgia Institute of Technology, Atlanta, GA 30332-0400 (United States)

    2015-10-15

    Highlights: • Zintl tetragonal phase ACdGeAs{sub 2} (A = K, Rb) are chalcopyrite and semiconductors. • Their direct band gap is suitable for PV, optolectronic and thermoelectric applications. • Combination of DFT and Boltzmann transport theory is employed. • The present arsenides are found to be covalent materials. - Abstract: Chalcopyrite semiconductors have attracted much attention due to their potential implications in photovoltaic and thermoelectric applications. First principle calculations were performed to investigate the electronic, optical and thermoelectric properties of the Zintl tetragonal phase ACdGeAs{sub 2} (A = K, Rb) using the full potential linear augmented plane wave method and the Engle–Vosko GGA (EV–GGA) approximation. The present compounds are found semiconductors with direct band gap and covalent bonding character. The optical transitions are investigated via the dielectric function (real and imaginary parts) along with other related optical constants including refractive index, reflectivity and energy-loss spectrum. Combining results from DFT and Boltzmann transport theory, we reported the thermoelectric properties such as the Seebeck’s coefficient, electrical and thermal conductivity, figure of merit and power factor as function of temperatures. The present chalcopyrite Zintl quaternary arsenides deserve to be explored for their potential applications as thermoelectric materials and for photovoltaic devices.

  20. Electronic structure and physical properties of Heusler compounds for thermoelectric and spintronic applications

    Energy Technology Data Exchange (ETDEWEB)

    Ouardi, Siham

    2012-03-19

    This thesis focuses on synthesis as well as investigations of the electronic structure and properties of Heusler compounds for spintronic and thermoelectric applications. The first part reports on the electronic and crystal structure as well as the mechanical, magnetic, and transport properties of the polycrystalline Heusler compound Co{sub 2}MnGe. The crystalline structure was examined in detail by extended X-ray absorption fine structure spectroscopy and anomalous X-ray diffraction. The low-temperature magnetic moment agrees well with the Slater-Pauling rule and indicates a half-metallic ferromagnetic state of the compound, as is predicted by ab-initio calculations. Transport measurements and hard X-ray photoelectron spectroscopy (HAXPES) were performed to explain the electronic structure of the compound. A major part of the thesis deals with a systematical investigation of Heusler compounds for thermoelectric applications. This thesis focuses on the search for new p-type Heusler compounds with high thermoelectric efficiency. The substitutional series NiTi{sub 1-x}M{sub x}Sn (where M=Sc, V and 0properties. The results show the possibility to create n-type and p-type thermoelectrics within one Heusler compound. The pure compounds showed n-type behavior, while under Sc substitution the system switched to p-type behavior. A maximum Seebeck coefficient of +230 {mu}V/K (350 K) was obtained for NiTi{sub 0.26}Sc{sub 0.04}Zr{sub 0.35}Hf{sub 0.35}Sn. HAXPES valence band measurement show massive in gap states for the parent compounds NiTiSn, CoTiSb and NiTi{sub 0.3}Zr{sub 0.35}Hf{sub 0.35}Sn. This proves that the electronic states close to the Fermi energy play a key role for the behavior of the transport properties. Furthermore, the electronic structure of the gapless Heusler compounds PtYSb, PtLaBi and PtLuSb were investigated by bulk

  1. Structural and thermoelectric properties of zintl-phase CaLiPn (Pn=As, Sb, Bi)

    Energy Technology Data Exchange (ETDEWEB)

    Chandran, Anoop K.; Gudelli, Vijay Kumar; Sreeparvathy, P.C.; Kanchana, V., E-mail: kanchana@iith.ac.in

    2016-11-15

    First-principles calculations were carried out to study the structural, mechanical, dynamical and transport properties of zintl phase materials CaLiPn (Pn=As, Sb and Bi). We have used two different approaches to solve the system based on density functional theory. The plane wave pseudopotential approach has been used to study the structural and dynamical properties whereas, full potential linear augment plane wave method is used to examine the electronic structure, mechanical and thermoelectric properties. The calculated ground-state properties agree quite well with experimental values. The computed electronic structure shows the investigated compounds to be direct band gap semiconductors. Further, we have calculated the thermoelectric properties of all the investigated compounds for both the carriers at various temperatures. We found a high thermopower for both the carriers, especially n-type doping to be more favourable, which enabled us to predict that CaLiPn might have promising applications as a good thermoelectric material. Further, the phonon dispersion curves of the investigated compounds showed flat phonon modes and we also find lower optical and acoustic modes to cut each other at the lower frequency range, which further indicate the investigated compounds to possess reasonably low thermal conductivity. We have also analysed the low value of the thermal conductivity through the empirical relations and discussions are presented here. - Highlights: • Electronic band structure and chemical bonding. • Single crystalline elastic constants and poly crystalline elastic moduli. • Thermoelectric properties of zintl phase. • Lattice dynamics and phonon density of states.

  2. Enhancement of the thermoelectric figure of merit in a quantum dot due to external ac field

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Qiao, E-mail: cqhy1127@yahoo.com.cn [Department of Maths and Physics, Hunan Institute of Engineering, Xiangtan 411104 (China); Wang, Zhi-yong, E-mail: wzyong@cqut.edu.cn [School of Optoelectronic Information, Chongqing University of Technology, Chongqing 400054 (China); Xie, Zhong-Xiang [Department of Mathematics and Physics, Hunan Institute of Technology, Hengyang 421002 (China)

    2013-08-15

    We investigate the figure of merit of a quantum dot (QD) system irradiated with an external microwave filed by nonequilibrium Green's function (NGF) technique. Results show that the frequency of microwave field influence the figure of merit ZT significantly. At low temperature, a sharp peak can be observed in the figure of merit ZT as the frequency of ac field increases. As the frequency varies, several zero points and resonant peaks emerge in the figure of merit ZT. By adjusting the frequency of the microwave field, we can obtain high ZT. The figure of merit ZT increases with the decreasing of linewidth function Γ. In addition, Wiedemann–Franz law does not hold, particularly in the low frequency region due to multi-photon emission and absorption. Some novel thermoelectric properties are also found in two-level QD system.

  3. The structural properties of InGaN alloys and the interdependence on the thermoelectric behavior

    Science.gov (United States)

    Kucukgok, Bahadir; Wu, Xuewang; Wang, Xiaojia; Liu, Zhiqiang; Ferguson, Ian T.; Lu, Na

    2016-02-01

    The III-Nitrides are promising candidate for high efficiency thermoelectric (TE) materials and devices due to their unique features which includes high thermal stability. A systematic study of the room temperature TE properties of metalorganic chemical vapor deposition grown InxGa1-xN were investigated for x = 0.07 to 0.24. This paper investigated the role of indium composition on the TE properties of InGaN alloys in particular the structural properties for homogenous material that did not show significant phase separation. The highest Seebeck and power factor values of 507 μV K-1 and 21.84 × 10-4 Wm-1K-1 were observed, respectively for In0.07Ga0.93N at room temperature. The highest value of figure-of-merit (ZT) was calculated to be 0.072 for In0.20Ga0.80N alloy at room temperature.

  4. Magneto-electronic, thermal, and thermoelectric properties of some Co-based quaternary alloys

    Science.gov (United States)

    Bhat, Tahir Mohiuddin; Gupta, Dinesh C.

    2018-01-01

    In this study, quaternary Heusler alloys CoFeCrZ (Z = Si, As, Sb) were investigated based on the modified Becke-Johnson exchange potential. The electronic structures demonstrated that CoFeCrZ (Z = Si, As, Sb) alloys are completely spin polarized with indirect bandgap and has an integer magnetic moment according to the Slater-Pauling rule. Pugh's and Poisson's ratios showed that these materials are highly ductile with high melting temperatures. The thermal properties comprising the thermal expansion coefficient, heat capacity, and Grüneisen parameter were evaluated at various pressures from 0 to 20 GPa. The Grüneisen parameter values indicated the strong anharmonicity of the lattice vibrations that predominated in these compounds. We also studied the dependency of the thermoelectric transport properties on the temperature, i.e., the thermal conductivity and Seebeck coefficient. These alloys exhibited low lattice thermal conductivity and good Seebeck coefficients at room temperature. The half-metallic structures of these compounds with large band gaps and adequate Seebeck coefficients mean that they are suitable for use in spintronic and thermoelectric device applications.

  5. Thermoelectric properties of electrodeposited tellurium films and the sodium lignosulfonate effect

    International Nuclear Information System (INIS)

    Abad, Begoña; Rull-Bravo, Marta; Hodson, Stephen L.; Xu, Xianfan; Martin-Gonzalez, Marisol

    2015-01-01

    The effect of the addition of a surfactant, sodium lignosulfonate (SLS), on the thermoelectric properties of tellurium films prepared by electrochemical deposition is studied. The growth mechanism is found to have an important role in the thermoelectric properties since the grain size of the films is sharply reduced when the surfactant is added to the solution. For this reason, the electrical resistivity of the tellurium films when the surfactant is not added is 229 μΩ·m, which is lower than 798 μΩ·m with SLS. The Seebeck coefficient values are not influenced, with values in the vicinity of 285 μV/K for both solutions. The power factor resulted higher values than previous works, reaching values of 280 μW/m·K 2 (without SLS) and 82 μW/m·K 2 (with SLS) at room temperature. Finally, the thermal conductivity was measured by means of the Photoacoustic technique, which showed values of the order of 1 W/m·K for both solutions, which is a factor of 3 less than the bulk value of tellurium. A notable observation is that the power factor and the thermal conductivity of electrodeposited tellurium films have the same order of magnitude of bismuth telluride films grown by electrodeposition. The figure of merit is estimated to be approximately one order of magnitude higher than the bulk value, 0.09 without SLS and 0.03 with SLS, both at room temperature

  6. Impact of parasitic thermal effects on thermoelectric property measurements by Harman method

    International Nuclear Information System (INIS)

    Kwon, Beomjin; Baek, Seung-Hyub; Keun Kim, Seong; Kim, Jin-Sang

    2014-01-01

    Harman method is a rapid and simple technique to measure thermoelectric properties. However, its validity has been often questioned due to the over-simplified assumptions that this method relies on. Here, we quantitatively investigate the influence of the previously ignored parasitic thermal effects on the Harman method and develop a method to determine an intrinsic ZT. We expand the original Harman relation with three extra terms: heat losses via both the lead wires and radiation, and Joule heating within the sample. Based on the expanded Harman relation, we use differential measurement of the sample geometry to measure the intrinsic ZT. To separately evaluate the parasitic terms, the measured ZTs with systematically varied sample geometries and the lead wire types are fitted to the expanded relation. A huge discrepancy (∼28%) of the measured ZTs depending on the measurement configuration is observed. We are able to separately evaluate those parasitic terms. This work will help to evaluate the intrinsic thermoelectric property with Harman method by eliminating ambiguities coming from extrinsic effects

  7. Fabrication Process and Thermoelectric Properties of CNT/Bi2(Se,Te3 Composites

    Directory of Open Access Journals (Sweden)

    Kyung Tae Kim

    2015-01-01

    Full Text Available Carbon nanotube/bismuth-selenium-tellurium composites were fabricated by consolidating CNT/Bi2(Se,Te3 composite powders prepared from a polyol-reduction process. The synthesized composite powders exhibit CNTs homogeneously dispersed among Bi2(Se,Te3 matrix nanopowders of 300 nm in size. The powders were densified into a CNT/Bi2(Se,Te3 composite in which CNTs were randomly dispersed in the matrix through spark plasma sintering process. The effect of an addition of Se on the dimensionless figure-of-merit (ZT of the composite was clearly shown in 3 vol.% CNT/Bi2(Se,Te3 composite as compared to CNT/Bi2Te3 composite throughout the temperature range of 298 to 473 K. These results imply that matrix modifications such as an addition of Se as well as the incorporation of CNTs into bismuth telluride thermoelectric materials is a promising means of achieving synergistic enhancement of the thermoelectric performance levels of these materials.

  8. Thermoelectric Properties of Hot-Pressed and PECS-Sintered Magnesium-Doped Copper Aluminum Oxide

    Science.gov (United States)

    Liu, Chang; Morelli, Donald T.

    2011-05-01

    Copper aluminum oxide (CuAlO2) is considered as a potential candidate for thermoelectric applications. Partially magnesium-doped CuAlO2 bulk pellets were fabricated using solid-state reactions, hot-pressing, and pulsed electric current sintering (PECS) techniques. X-ray diffraction and scanning electron microscopy were adopted for structural analysis. High-temperature transport property measurements were performed on hot-pressed samples. Electrical conductivity increased with Mg doping before secondary phases became significant, while the Seebeck coefficient displayed the opposite trend. Thermal conductivity was consistently reduced as the Mg concentration increased. Effects of Mg doping, preparation conditions, and future modification on this material's properties are discussed.

  9. High-temperature thermoelectric properties of AgxYyCa2⋅ 8Co4O9 ...

    Indian Academy of Sciences (India)

    temperature thermoelectric properties of AgYCa2.8Co4O9 + ceramics. Youjin Zheng Hui Zhou Tengzhou Ma Guihong Zuo Hongtao Li Taichao Su Chunlei Wu Hailiang Huang Dan Wang Longcheng Yin. Volume 37 Issue 5 August 2014 pp 963- ...

  10. Thermoelectric Properties of the Yttrium-Doped Ceramic Oxide SrTiO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Khan, Tamal Tahsin; Ur, Soon-Chul [Korea National University of Transportation, Chungju (Korea, Republic of)

    2017-01-15

    The doping dependence of the thermoelectric figure of merit, ZT, of the ceramic oxide SrTiO{sub 3} at high temperature has been studied. In this study, yttrium was used as the doping element. A conventional solid-state reaction method was used for the preparation of Y-doped SrTiO{sub 3}. The doping level in SrTiO{sub 3} was controlled to be in the doping range of 2 - 10 mole%. Almost all the yttrium atoms incorporated into the SrTiO{sub 3} provided charge carriers, as was observed by using X-ray diffraction pattern. The relative densities of all the samples varied from 98.53% to 99.45%. The thermoelectric properties, including the electrical conductivity σ, Seebeck coefficient S, thermal conductivity k, and the figure of merit, ZT, were investigated at medium temperatures. The ZT value showed an obvious doping level dependence, in which a value as high as 0.18 is realized at 773 K for a doping of 8 mole%.

  11. Thermoelectric properties of periodic quantum structures in the Wigner-Rode formalism

    Science.gov (United States)

    Kommini, Adithya; Aksamija, Zlatan

    2018-01-01

    Improving the thermoelectric Seebeck coefficient, while simultaneously reducing thermal conductivity, is required in order to boost thermoelectric (TE) figure of merit (ZT). A common approach to improve the Seebeck coefficient is electron filtering where ‘cold’ (low energy) electrons are restricted from participating in transport by an energy barrier (Kim and Lundstrom 2011 J. Appl. Phys. 110 034511, Zide et al 2010 J. Appl. Phys. 108 123702). However, the impact of electron tunneling through thin barriers and resonant states on TE properties has been given less attention, despite the widespread use of quantum wells and superlattices (SLs) in TE applications. In our work, we develop a comprehensive transport model using the Wigner-Rode formalism. We include the full electronic bandstructure and all the relevant scattering mechanisms, allowing us to simulate both energy relaxation and quantum effects from periodic potential barriers. We study the impact of barrier shape on TE performance and find that tall, sharp barriers with small period lengths lead to the largest increase in both Seebeck coefficient and conductivity, thus boosting power factor and TE efficiency. Our findings are robust against additional elastic scattering such as atomic-scale roughness at side-walls of SL nanowires.

  12. High-temperature thermoelectric properties of La-doped BaSnO3 ceramics

    International Nuclear Information System (INIS)

    Yasukawa, Masahiro; Kono, Toshio; Ueda, Kazushige; Yanagi, Hiroshi; Hosono, Hideo

    2010-01-01

    To elucidate the thermoelectric properties at high temperatures, perovskite-type La-doped BaSnO 3 ceramics were fabricated by a polymerized complex (PC) method and subsequent spark plasma sintering (SPS) technique. Fine powders of Ba 1-x La x SnO 3 (x = 0.00-0.07) were prepared by the PC method using citrate complexes, and SPS treatment converted the powders into dense ceramics with relative densities of 93-97%. The La content dependence of the lattice parameter suggested that the solubility of La for Ba sites was approximately x = 0.03. The temperature dependence of the electrical conductivity σ and Seebeck coefficient S showed that each La-doped ceramic was an n-type degenerate semiconductor in the measured temperature range of 373-1073 K. The La content dependence of the S values indicated that the electron carrier concentration increased successively up to x = 0.03, which was the solubility limit of the La atoms. The thermoelectric power factors S 2 σ increased drastically with La doping, and reached a maximum for x = 0.01 with values of 0.8 x 10 -4 W m -1 K -2 at 373 K to 2.8 x 10 -4 W m -1 K -2 at 1073 K.

  13. Thermoelectric properties of bismuth antimony tellurium thin films through bilayer annealing prepared by ion beam sputtering deposition

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Zhuang-hao [College of Physics Science and Technology, Shenzhen University, 518060 (China); Shenzhen Key Laboratory of Sensor Technology, Shenzhen 518060 (China); Fan, Ping, E-mail: fanping308@126.com [College of Physics Science and Technology, Shenzhen University, 518060 (China); Shenzhen Key Laboratory of Sensor Technology, Shenzhen 518060 (China); Luo, Jing-ting [College of Physics Science and Technology, Shenzhen University, 518060 (China); Shenzhen Key Laboratory of Sensor Technology, Shenzhen 518060 (China); Cai, Xing-min; Liang, Guang-xing; Zhang, Dong-ping [College of Physics Science and Technology, Shenzhen University, 518060 (China); Ye, Fan [Shenzhen Key Laboratory of Sensor Technology, Shenzhen 518060 (China)

    2014-07-01

    Bismuth antimony tellurium is one of the most important tellurium-based materials for high-efficient thermoelectric application. In this paper, ion beam sputtering was used to deposit Bi{sub 2}Te{sub 3} and Sb{sub 2}Te{sub 3} bilayer thin films on borosilicate substrates at room-temperature. Then the bismuth antimony tellurium thin films were synthesized via post thermal treatment of the Bi{sub 2}Te{sub 3} and Sb{sub 2}Te{sub 3} bilayer thin films. The effect of annealing temperature and compositions on the thermoelectric properties of the thin films was investigated. After the thin films were annealed from 150 °C to 350 °C for 1 h in the high vacuum condition, the Seebeck coefficient changed from a negative sign to a positive sign. The X-ray diffraction results showed that the synthesized tellurium-based thermoelectric thin film exhibited various alloys phases, which contributed different thermoelectricity conductivity to the synthesized thin film. The overall Seebeck coefficient of the synthesized thin film changed from negative sign to positive sign, which was due to the change of the primary phase of the tellurium-based materials at different annealing conditions. Similarly, the thermoelectric properties of the films were also associated with the grown phase. High-quality thin film with the Seebeck coefficient of 240 μV K{sup −1} and the power factor of 2.67 × 10{sup −3} Wm{sup −1} K{sup −2} showed a single Bi{sub 0.5}Sb{sub 1.5}Te{sub 3} phase when the Sb/Te thin film sputtering time was 40 min. - Highlights: • Bi{sub 0.5}Sb{sub 1.5}Te{sub 3} thermoelectric thin films synthesized via bilayer annealing • The film has single Bi{sub 0.5}Sb{sub 1.5}Te{sub 3} phase with best thermoelectric performance. • The film has high thermoelectric properties comparable with other best results.

  14. Enhancement of thermoelectric efficiency of CoSb3-based skutterudites by double filling with K and Tl

    Directory of Open Access Journals (Sweden)

    Ken eKurosaki

    2014-10-01

    Full Text Available The high-temperature thermoelectric properties of thallium (Tl and potassium (K double-filled cobalt antimonide (CoSb3-based skutterudites with nominal compositions TlxK0.3Co4Sb12 (x = 0.1–0.3 were investigated. The filling fraction of Tl in CoSb3 was enhanced by co-filling with K, which resulted in all of the samples showing the filled-skutterudite single phase. Owing to the high filling ratio, the carrier concentration in the sample with x = 0.3 was as high as 4.3 × 1020 cm−3 at room temperature. Furthermore, quite low lattice thermal conductivity (as low as 0.9 W m−1 K−1 was obtained for the sample with x = 0.3, probably because of strong phonon scattering by the Tl and K co-rattling effect, which resulted in a maximum zT of around one at 773 K.

  15. Formation of nanodots and enhancement of thermoelectric power induced by ion irradiation in PbTe:Ag composite thin films

    Energy Technology Data Exchange (ETDEWEB)

    Bala, Manju, E-mail: manjubala474@gmail.com [Inter-University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110067 (India); Meena, Ramcharan; Gupta, Srashti; Pannu, Compesh [Inter-University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110067 (India); Tripathi, Tripurari S. [Aalto University, Värmemansgränden 2, 02150 Espoo (Finland); Varma, Shikha [Institute of Physics, Bhubaneshwar, Odisha 751005 (India); Tripathi, Surya K. [Department of Physics, Panjab University, Chandigarh 160 014 (India); Asokan, K., E-mail: asokaniuac@gmail.com [Inter-University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110067 (India); Avasthi, Devesh K. [Amity University, Noida 201313, Uttar Pradesh (India)

    2016-07-15

    Present study demonstrates an enhancement in thermoelectric power of 10% Ag doped PbTe (PbTe:Ag) thin films when irradiated with 200 keV Ar ion. X-ray diffraction showed an increase in crystallinity for both PbTe and PbTe:10Ag nano-composite films after Ar ion irradiation due to annealing of defects in the grain boundaries. The preferential sputtering of Pb and Te ions in comparison to Ag ions resulted in the formation of nano-dots. This was further confirmed by X-ray photoelectron spectroscopy (XPS). Such an enhancement in thermoelectric power of irradiated PbTe:10Ag films in comparison to pristine PbTe:10Ag film is attributed to the decrease in charge carrier concentration that takes part in the transport process via restricting the tunneling of carriers through the wider potential barrier formed at the interface of nano-dots.

  16. Introduction to thermoelectricity

    CERN Document Server

    Goldsmid, H Julian

    2010-01-01

    Introduction to Thermoelectricity is the latest work by Professor Julian Goldsmid drawing on his 55 years experience in the field. The theory of the thermoelectric and related phenomena is presented in sufficient detail to enable researchers to understand their observations and develop improved thermoelectric materials. The methods for the selection of materials and their improvement are discussed. Thermoelectric materials for use in refrigeration and electrical generation are reviewed. Experimental techniques for the measurement of properties and for the production of thermoelements are described. Special emphasis is placed on nanotechnology which promises to yield great improvements in the efficiency of thermoelectric devices. Chapters are also devoted to transverse thermoelectric effects and thermionic energy conversion, both techniques offering the promise of important applications in the future.

  17. Ge/SiGe superlattices for nanostructured thermoelectric modules

    International Nuclear Information System (INIS)

    Chrastina, D.; Cecchi, S.; Hague, J.P.; Frigerio, J.; Samarelli, A.; Ferre–Llin, L.; Paul, D.J.; Müller, E.; Etzelstorfer, T.; Stangl, J.; Isella, G.

    2013-01-01

    Thermoelectrics are presently used in a number of applications for both turning heat into electricity and also for using electricity to produce cooling. Mature Si/SiGe and Ge/SiGe heteroepitaxial growth technology would allow highly efficient thermoelectric materials to be engineered, which would be compatible and integrable with complementary metal oxide silicon micropower circuits used in autonomous systems. A high thermoelectric figure of merit requires that electrical conductivity be maintained while thermal conductivity is reduced; thermoelectric figures of merit can be improved with respect to bulk thermoelectric materials by fabricating low-dimensional structures which enhance the density of states near the Fermi level and through phonon scattering at heterointerfaces. We have grown and characterized Ge-rich Ge/SiGe/Si superlattices for nanofabricated thermoelectric generators. Low-energy plasma-enhanced chemical vapor deposition has been used to obtain nanoscale-heterostructured material which is several microns thick. Crystal quality and strain control have been investigated by means of high resolution X-ray diffraction. High-resolution transmission electron microscopy images confirm the material and interface quality. Electrical conductivity has been characterized by the mobility spectrum technique. - Highlights: ► High-quality Ge/SiGe multiple quantum wells for thermoelectric applications ► Mobility spectra of systems featuring a large number of parallel conduction channels ► Competitive thermoelectric properties measured in single devices

  18. Electronic structure and physical properties of Heusler compounds for thermoelectric and spintronic applications

    International Nuclear Information System (INIS)

    Ouardi, Siham

    2012-01-01

    This thesis focuses on synthesis as well as investigations of the electronic structure and properties of Heusler compounds for spintronic and thermoelectric applications. The first part reports on the electronic and crystal structure as well as the mechanical, magnetic, and transport properties of the polycrystalline Heusler compound Co 2 MnGe. The crystalline structure was examined in detail by extended X-ray absorption fine structure spectroscopy and anomalous X-ray diffraction. The low-temperature magnetic moment agrees well with the Slater-Pauling rule and indicates a half-metallic ferromagnetic state of the compound, as is predicted by ab-initio calculations. Transport measurements and hard X-ray photoelectron spectroscopy (HAXPES) were performed to explain the electronic structure of the compound. A major part of the thesis deals with a systematical investigation of Heusler compounds for thermoelectric applications. This thesis focuses on the search for new p-type Heusler compounds with high thermoelectric efficiency. The substitutional series NiTi 1-x M x Sn (where M=Sc, V and 0 0.26 Sc 0.04 Zr 0.35 Hf 0.35 Sn. HAXPES valence band measurement show massive in gap states for the parent compounds NiTiSn, CoTiSb and NiTi 0.3 Zr 0.35 Hf 0.35 Sn. This proves that the electronic states close to the Fermi energy play a key role for the behavior of the transport properties. Furthermore, the electronic structure of the gapless Heusler compounds PtYSb, PtLaBi and PtLuSb were investigated by bulk sensitive HAXPES. The linear behavior of the spectra close to εF proves the bulk origin of Dirac-cone type density of states. Furthermore, a systematic study on the optical and transport properties of PtYSb is presented. The compound exhibits promising thermoelectric properties with a high figure of merit (ZT=0.2) and a Hall mobility μh of 300 cm 2 /Vs at 350 K. The last part of this thesis describes the linear dichroism in angular-resolved photoemission from the valence band

  19. Synthesis–property relationship in thermoelectric Sr 1− x Yb x TiO 3− δ ceramics

    KAUST Repository

    Bhattacharya, S

    2014-08-22

    The electronic transport properties of a series of Sr1-xYbxTiO3-delta (x = 0.05, 0.1) ceramics are investigated as a function of solid-state reaction (SSR) parameters, specifically calcination steps. It was found that the electrical conductivity (sigma) increases almost by a factor of 6, through the optimization of SSR parameters. The enhancement in the electrical conductivity leads to an enhancement in the thermoelectric power factor by a factor of 3. In addition, the lattice thermal conductivity (k(L)) of the Sr1-xYbxTiO3-delta ceramics is suppressed with increasing Yb-doping, supposedly due to heavier atomic mass of Yb substituted at the Sr site and a smaller ionic radii of Yb+3 with respect to Sr+2 ions. However, our model calculations indicate that strain-field effect, which occurs due to the difference in ionic radii, is the more prominent phonon scattering mechanism in the Yb-doped SrTiO3. This work is an extension of our previous study on the underlying phonon scattering mechanisms in the Y-doped SrTiO3, which would provide new insight into thermal transport in doped SrTiO3 and could be used as a guideline for more effective material synthesis.

  20. Effect of quantum confinement on thermoelectric properties of vanadium dioxide nanofilms

    Energy Technology Data Exchange (ETDEWEB)

    Khan, G.R.; Ahmad, Bilal [National Institute of Technology Srinagar, Nanotech Research Lab, Department of Physics, Kashmir (India)

    2017-12-15

    The quantum confinement effect on thermoelectric properties of pristine vanadium dioxide (VO{sub 2}) nanofilms across semiconductor to metal phase transition (SMT) has been demonstrated by studying VO{sub 2} nanofilms of 15 nm thickness in comparison to microfilms of 290 nm thickness synthesized via inorganic sol-gel method casted on glass substrates by spin coating technique. The ebbing of phase transition temperature in nanofilms across SMT was consistent with the results obtained from resistance-temperature hysteresis contour during SMT dynamics of the nanofilms. The temperature dependent Hall and Seebeck measurements revealed that electrons were the charge carriers in the nanofilms and that the value of charge carrier concentration increased as much as 4 orders of magnitude while going across SMT which stood responsible almost entirely for resistance variations. The decline in carrier mobility and escalation in Seebeck coefficient in the low temperature semiconducting region were splendidly witnessed across SMT. (orig.)

  1. Temperature dependent thermoelectric property of reduced graphene oxide-polyaniline composite

    Energy Technology Data Exchange (ETDEWEB)

    Mitra, Mousumi, E-mail: mousumimitrabesu@gmail.com; Banerjee, Dipali, E-mail: dipalibanerjeebesu@gmail.com [Department of Physics, Indian Institute of Engineering Science and Technology (IIEST), Howrah-711103 (India); Kargupta, Kajari, E-mail: karguptakajari2010@gmail.com [Department of Chemical Engineering, Jadavpur University, Kolkata (India); Ganguly, Saibal, E-mail: gangulysaibal2011@gmail.com [Chemical Engineering department, Universiti Teknologi Petronas, Perak, Tronoh (Malaysia)

    2016-05-06

    A composite material of reduced graphene oxide (rG) nanosheets with polyaniline (PANI) protonated by 5-sulfosalicylic acid has been synthesized via in situ oxidative polymerization method. The morphological and spectral characterizations have been done using FESEM and XRD measurements. The thermoelectric (TE) properties of the reduced graphene oxide-polyaniline composite (rG-P) has been studied in the temperature range from 300-400 K. The electrical conductivity and the Seebeck coefficient of rG-P is higher than the of pure PANI, while the thermal conductivity of the composite still keeps much low value ensuing an increase in the dimensionless figure of merit (ZT) in the whole temperature range.

  2. Correlating thermoelectric properties with microstructure in Bi0.8Sb0.2 thin films

    Science.gov (United States)

    Siegal, M. P.; Lima-Sharma, A. L.; Sharma, P. A.; Rochford, C.

    2017-04-01

    The room temperature electronic transport properties of 100 nm-thick thermoelectric Bi0.8Sb0.2 films, sputter-deposited onto quartz substrates and post-annealed in an ex-situ furnace, systematically correlate with the overall microstructural quality, improving with increasing annealing temperature until close to the melting point for the alloy composition. The optimized films have high crystalline quality with ˜99% of the grains oriented with the trigonal axis perpendicular to the substrate surface. Film resistivities and Seebeck coefficients are accurately measured by preventing deleterious surface oxide formation via a SiN capping layer and using Nd-doped Al for contacts. The resulting values are similar to single crystals and significantly better than previous reports from films and polycrystalline bulk alloys.

  3. Thermoelectric properties of β-boron and some boron compounds. Final report, August 1981-September 1984

    International Nuclear Information System (INIS)

    Slack, G.A.; Rosolowski, J.H.; Miller, M.L.; Huseby, I.C.

    1984-12-01

    The thermoelectric properties, that is the Seebeck coefficient, and electrical and thermal conductivity, of doped β-boron have been measured from 300 to 1600 K. Most of the useful doping elements are transition metals and occupy interstitial sites in the lattice. The highest figure of merit so far achieved at 1000 K is ZT = 0.11 for P-type, polycrystalline, hot-pressed β-boron doped with copper. Higher values may be achievable once a better P-type dopant is found. Some experiments on B 68 Y, α-B 12 Al, B 4 C, and B 6 Si are described. Transition metals appear to be effective dopants for B 68 Y and B 4 C

  4. Investigation of the Anisotropic Thermoelectric Properties of Oriented Polycrystalline SnSe

    Directory of Open Access Journals (Sweden)

    Yulong Li

    2015-06-01

    Full Text Available Polycrystalline SnSe was synthesized by a melting-annealing-sintering process. X-ray diffraction reveals the sample possesses pure phase and strong orientation along [h00] direction. The degree of the orientations was estimated and the anisotropic thermoelectric properties are characterized. The polycrystalline sample shows a low electrical conductivity and a positive and large Seebeck coefficient. The low thermal conductivity is also observed in polycrystalline sample, but slightly higher than that of single crystal. The minimum value of thermal conductivity was measured as 0.3 W/m·K at 790 K. With the increase of the orientation factor, both electrical and thermal conductivities decrease, but the thermopowers are unchanged. As a consequence, the zT values remain unchanged in the polycrystalline samples despite the large variation in the degree of orientation.

  5. Thermoelectric properties of cobalt–antimonide thin films prepared by radio frequency co-sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Ahmed, Aziz; Han, Seungwoo, E-mail: swhan@kimm.re.kr

    2015-07-31

    Co–Sb thin films with an Sb content in the range 65–76 at.%, were deposited on a thermally oxidized Si (100) substrate preheated at 200 °C using radio-frequency co-sputtering. Evaluation using scanning electron microscopy images and X-ray diffraction reveals that the films were polycrystalline, with a grain size in the range 100–250 nm. Energy-dispersive spectroscopy analysis indicates single-phase CoSb{sub 2} and CoSb{sub 3} films, as well as multiphase thin films with either CoSb{sub 2} or CoSb{sub 3} as the dominant phase. The electrical and thermoelectric properties were measured and found to be strongly dependent on the observed phases and the defect concentrations. The CoSb{sub 2} thin films were found to exhibit a significant n-type thermoelectric effect, which, coupled with the very low electrical resistivity, resulted in a larger power factor than that of the CoSb{sub 3} thin films. We find power factors of 0.73 mWm{sup −1} K{sup −2} and 0.67 mWm{sup −1} K{sup −2} for the CoSb{sub 2} and CoSb{sub 3} thin films, respectively. - Highlights: • Polycrystalline Co–Sb thin films were obtained by present deposition strategy. • CoSb{sub 2} and CoSb{sub 3} have semimetal and semiconductor characteristics respectively. • The Seebeck coefficient depends heavily on defect concentration and impurity phases. • Film properties in the second heating cycle were different from the first. • CoSb{sub 2} is found to possess significant n-type thermopower.

  6. Influence of Oxygen Partial Pressure during Processing on the Thermoelectric Properties of Aerosol-Deposited CuFeO₂.

    Science.gov (United States)

    Stöcker, Thomas; Exner, Jörg; Schubert, Michael; Streibl, Maximilian; Moos, Ralf

    2016-03-24

    In the field of thermoelectric energy conversion, oxide materials show promising potential due to their good stability in oxidizing environments. Hence, the influence of oxygen partial pressure during synthesis on the thermoelectric properties of Cu-Delafossites at high temperatures was investigated in this study. For these purposes, CuFeO₂ powders were synthetized using a conventional mixed-oxide technique. X-ray diffraction (XRD) studies were conducted to determine the crystal structures of the delafossites associated with the oxygen content during the synthesis. Out of these powders, films with a thickness of about 25 µm were prepared by the relatively new aerosol-deposition (AD) coating technique. It is based on a room temperature impact consolidation process (RTIC) to deposit dense solid films of ceramic materials on various substrates without using a high-temperature step during the coating process. On these dense CuFeO₂ films deposited on alumina substrates with electrode structures, the Seebeck coefficient and the electrical conductivity were measured as a function of temperature and oxygen partial pressure. We compared the thermoelectric properties of both standard processed and aerosol deposited CuFeO₂ up to 900 °C and investigated the influence of oxygen partial pressure on the electrical conductivity, on the Seebeck coefficient and on the high temperature stability of CuFeO₂. These studies may not only help to improve the thermoelectric material in the high-temperature case, but may also serve as an initial basis to establish a defect chemical model.

  7. Increasing the thermoelectric power factor of Ge17Sb2Te20 by adjusting the Ge/Sb ratio

    Science.gov (United States)

    Williams, Jared B.; Mather, Spencer P.; Page, Alexander; Uher, Ctirad; Morelli, Donald T.

    2017-07-01

    We have investigated the thermoelectric properties of Ge17Sb2Te20. This compound is a known phase change material with electronic properties that depend strongly on temperature. The thermoelectric properties of this compound can be tuned by altering the stoichiometry of Ge and Sb without the use of additional foreign elements during synthesis. This tuning results in a 26% increase in the thermoelectric power factor at 723 K. Based on a single parabolic band model we show that the pristine material is optimally doped, and thus, a reduction in the lattice thermal conductivity of pure Ge17Sb2Te20 should result in an enhanced thermoelectric figure of merit.

  8. Modelling of thermoelectric materials

    DEFF Research Database (Denmark)

    Bjerg, Lasse

    In order to discover new good thermoelectric materials, there are essentially two ways. One way is to go to the laboratory, synthesise a new material, and measure the thermoelectric properties. The amount of compounds, which can be investigated this way is limited because the process is time...... consuming. Another approach is to model the thermoelectric properties of a material on a computer. Several crystal structures can be investigated this way without use of much man power. I have chosen the latter approach. Using density functional theory I am able to calculate the band structure of a material....... This band structure I can then use to calculate the thermoelectric properties of the material. With these results I have investigated several materials and found the optimum theoretical doping concentration. If materials with these doping concentrations be synthesised, considerably better thermoelectric...

  9. Thermoelectricity: materials and applications

    International Nuclear Information System (INIS)

    Elberg, S.; Mathonnet, P.

    1975-01-01

    After a brief recall of the basic principles of thermoelectricity, the essential characteristics intervening in the different thermoelectric devices operating modes are defined. Properties of the materials the most used nowadays and performances of the apparatus that they allow to realize are indicated. Advantages and drawbacks of the principal applications in the form of electrical generators, refrigerators and heat pumps are pointed out [fr

  10. Band structure and thermoelectric properties of half-Heusler semiconductors from many-body perturbation theory

    Science.gov (United States)

    Zahedifar, Maedeh; Kratzer, Peter

    2018-01-01

    Various ab initio approaches to the band structure of A NiSn and A CoSb half-Heusler compounds (A = Ti, Zr, Hf) are compared and their consequences for the prediction of thermoelectric properties are explored. Density functional theory with the generalized-gradient approximation (GGA), as well as the hybrid density functional HSE06 and ab initio many-body perturbation theory in the form of the G W0 approach, are employed. The G W0 calculations confirm the trend of a smaller band gap (0.75 to 1.05 eV) in A NiSn compared to the A CoSb compounds (1.13 to 1.44 eV) already expected from the GGA calculations. While in A NiSn materials the G W0 band gap is 20% to 50% larger than in HSE06, the fundamental gap of A CoSb materials is smaller in G W0 compared to HSE06. This is because G W0 , similar to PBE, locates the valence band maximum at the L point of the Brillouin zone, whereas it is at the Γ point in the HSE06 calculations. The differences are attributed to the observation that the relative positions of the d levels of the transition metal atoms vary among the different methods. Using the calculated band structures and scattering rates taking into account the band effective masses at the extrema, the Seebeck coefficients, thermoelectric power factors, and figures of merit Z T are predicted for all six half-Heusler compounds. Comparable performance is predicted for the n -type A NiSn materials, whereas clear differences are found for the p -type A CoSb materials. Using the most reliable G W0 electronic structure, ZrCoSb is predicted to be the most efficient material with a power factor of up to 0.07 W/(K2 m) at a temperature of 600 K. We find strong variations among the different ab initio methods not only in the prediction of the maximum power factor and Z T value of a given material, but also in comparing different materials to each other, in particular in the p -type thermoelectric materials. Thus we conclude that the most elaborate, but also most costly G W0

  11. Effects of Lu and Tm Doping on Thermoelectric Properties of Bi2Te3 Compound

    Science.gov (United States)

    Yaprintsev, Maxim; Lyubushkin, Roman; Soklakova, Oxana; Ivanov, Oleg

    2018-02-01

    The Bi2Te3, Bi1.9Lu0.1Te3 and Bi1.9Tm0.1Te3 thermoelectrics of n-type conductivity have been prepared by the microwave-solvothermal method and spark plasma sintering. These compounds behave as degenerate semiconductors from room temperature up to temperature T d ≈ 470 K. Within this temperature range the temperature behavior of the specific electrical resistivity is due to the temperature changes of electron mobility determined by acoustic and optical phonon scattering. Above T d, an onset of intrinsic conductivity takes place when electrons and holes are present. At the Lu and Tm doping, the Seebeck coefficient increases, while the specific electrical resistivity and total thermal conductivity decrease within the temperature 290-630 K range. The increase of the electrical resistivity is related to the increase of electron concentration since the Tm and Lu atoms are donor centres in the Bi2Te3 lattice. The increase of the density-of-state effective mass for conduction band can be responsible for the increase of the Seebeck coefficient. The decrease of the total thermal conductivity in doped Bi2Te3 is attributed to point defects like the antisite defects and Lu or Tm atoms substituting for the Bi sites. In addition, reducing the electron thermal conductivity due to forming a narrow impurity (Lu or Tm) band having high and sharp density-of-states near the Fermi level can effectively decrease the total thermal conductivity. The thermoelectric figure-of-merit is enhanced from ˜ 0.4 for undoped Bi2Te3 up to ˜ 0.7 for Bi1.9Tm0.1Te3 and ˜ 0.9 for Bi1.9Lu0.1Te3.

  12. Electronic Structure Properties and a Bonding Model of Thermoelectric Half-Heusler and Boride Phases

    Science.gov (United States)

    Simonson, Jack William

    Half-Heusler alloys MNiSn and MCoSb (M = Ti, Zr, Hf) and layered boride intermetallics with structure types YCrB4 and Er 3CrB7 were designed, synthesized, and characterized. The thermoelectric properties of these two classes of alloys were measured from room temperature to 1100 K with the intent of indirectly studying their electronic structure properties and gauging not only their suitability but that of related alloys for high temperature thermoelectric power generation. In the case of the half-Heusler alloys, transition metals were substituted to both the M and Ni/Co sites to study the resultant modifications of the d-orbital-rich portion of the electronic structure near the Fermi energy. This modification and subsequent pinning of the Fermi energy within the gap is discussed herein in terms of first principles electronic structure calculations from the literature. In the half-Heusler alloys, it was found that substitution of transition metals invariably led to a decrease in the thermopower, while the resistivity typically maintained its semiconducting trend. On the other hand, Sn doping in MCoSb type alloys -- a dopant that has been known for some time to be efficient -- was shown to result in high ZT at temperatures in excess of 1000 K. Moreover, the band gaps of the transition metal-doped alloys measured in this work offer insight into the discrepancy between the predicted and measured band gaps in the undoped parent compositions. In the case of the layered boride alloys, on the other hand, few electronic calculations have been published, thus prompting the generalization of a well-known electron counting rule -- which is typically used to study molecular organometallics, boranes, and metallocenes -- to predict the trends in the densities of states of crystalline solids that possess the requisite deltahedral bonding geometry. In accordance with these generalized electronic counting rules, alloys of the form RMB4 (R = Y, Gd, Ho; M = Cr, Mo, W) were measured to

  13. Colossal enhancement in thermoelectric effect in a laterally coupled double-quantum-dot chain by the Coulomb interactions

    International Nuclear Information System (INIS)

    Xiong, Lun; Yi, Lin

    2014-01-01

    Thermoelectric effects, including Seebeck coefficient (S), thermal conductance (κ), and figure of merit (ZT), in a laterally coupled double-quantum-dot (DQD) chain with two external nonmagnetic contacts are investigated theoretically by the nonequilibrium Green's function formalism. In this system, the DQD chain between two contacts forms a main channel for thermal electrons transporting, and each QD in the main chain couples laterally to a dangling one. The numerical calculations show that the Coulomb interactions not only lead to the splitting of the asymmetrical double-peak structure of the Seebeck coefficient, but also make the thermal spectrum show a strong violation of the Wiedemann–Franz law, leading to a colossal enhancement in ZT. These results indicate that the coupled DQD chain has potential applications in the thermoelectric devices with high thermal efficiency.

  14. Electronic structure and thermoelectric transport properties of the golden Th2S3-type Ti2O3 under pressure

    Directory of Open Access Journals (Sweden)

    Bin Xu

    2016-05-01

    Full Text Available A lot of physical properties of Th2S3-type Ti2O3 have investigated experimentally, hence, we calculated electronic structure and thermoelectric transport properties by the first-principles calculation under pressure. The increase of the band gaps is very fast from 30GP to 35GP, which is mainly because of the rapid change of the lattice constants. The total density of states becomes smaller with increasing pressure, which shows that Seebeck coefficient gradually decreases. Two main peaks of Seebeck coefficients always decrease and shift to the high doping area with increasing temperature under pressure. The electrical conductivities always decrease with increasing temperature under pressure. The electrical conductivity can be improved by increasing pressure. Electronic thermal conductivity increases with increasing pressure. It is noted that the thermoelectric properties is reduced with increasing temperature.

  15. Thermoelectric cross-plane properties on p- and n-Ge/Si{sub x}Ge{sub 1-x} superlattices

    Energy Technology Data Exchange (ETDEWEB)

    Ferre Llin, L.; Samarelli, A. [University of Glasgow, School of Engineering, Oakfield Avenue, Glasgow G12 8LT (United Kingdom); Cecchi, S.; Chrastina, D.; Isella, G. [L-NESS, Politecnico di Milano, Via Anzani 42, 22100 Como (Italy); Müller Gubler, E. [ETH, Electron Microscopy ETH Zurich, Wolgang-Pauli-Str. Ch-8093 Zurich (Switzerland); Etzelstorfer, T.; Stangl, J. [Johannes Kepler Universität, Institute of Semiconductor and Solid State Physics, A-4040 Linz (Austria); Paul, D.J., E-mail: Douglas.Paul@glasgow.ac.uk [University of Glasgow, School of Engineering, Oakfield Avenue, Glasgow G12 8LT (United Kingdom)

    2016-03-01

    Silicon and germanium materials have demonstrated an increasing attraction for energy harvesting, due to their sustainability and integrability with complementary metal oxide semiconductor and micro-electro-mechanical-system technology. The thermoelectric efficiencies for these materials, however, are very poor at room temperature and so it is necessary to engineer them in order to compete with telluride based materials, which have demonstrated at room temperature the highest performances in literature [1]. Micro-fabricated devices consisting of mesa structures with integrated heaters, thermometers and Ohmic contacts were used to extract the cross-plane values of the Seebeck coefficient and the thermal conductivity from p- and n-Ge/Si{sub x}Ge{sub 1-x} superlattices. A second device consisting in a modified circular transfer line method structure was used to extract the electrical conductivity of the materials. A range of p-Ge/Si{sub 0.5}Ge{sub 0.5} superlattices with different doping levels was investigated in detail to determine the role of the doping density in dictating the thermoelectric properties. A second set of n-Ge/Si{sub 0.3}Ge{sub 0.7} superlattices was fabricated to study the impact that quantum well thickness might have on the two thermoelectric figures of merit, and also to demonstrate a further reduction of the thermal conductivity by scattering phonons at different wavelengths. This technique has demonstrated to lower the thermal conductivity by a 25% by adding different barrier thicknesses per period. - Highlights: • Growth of epitaxial Ge/SiGe superlattices on Si substrates as energy harvesters • Study of cross-plane thermoelectric properties of Ge/SiGe superlattices at 300 K • Thermoelectric figures of merit studied as a function of doping density • Phonon scattering at different wavelengths to reduce thermal transport.

  16. Preparation and thermoelectric properties of RF co-sputtered CoSb{sub 3} skutteruddite thin films

    Energy Technology Data Exchange (ETDEWEB)

    Ahmed, Aziz [University of Science and Technology, Daejeon (Korea, Republic of); Han, Seungwoo [Korea Institute of Machinery and Materials, Daejeon (Korea, Republic of); University of Science and Technology, Daejeon (Korea, Republic of)

    2014-11-15

    Various skutterudites have been under investigation because of their potential application in thermoelectric materials and devices. These studies indicate that bulk materials with a skutterudite type structure show reasonable thermoelectric behaviors at elevated temperatures, which make them suitable for high-temperature thermoelectric applications. The results of thermoelectric-property measurements on skutterudite-phase CoSb{sub 3} thin films are presented in this study in order to extend the bulk material concept to micro-device applications by using thin film deposition technology. Thin films are deposited on oxidized silicon substrates by using the RF co-sputtering method. The film's composition is found to depend strongly on the deposition conditions. The temperature at which the deposited films transition from an amorphous state to a crystalline state has been reported to be about 153 .deg. C. Therefore, some experiments are performed with the substrate temperature kept at 200 .deg. C to obtain polycrystalline films. The crystal structure of the film is evaluated by using x-ray diffraction (XRD) measurements. Energy dispersive spectroscopy (EDS) is used to determine the film's composition whereas the surface morphology and the thickness are investigated and measured by using scanning electron microscopy (SEM). Finally, the thermoelectric properties, namely, the electrical resistivity and the Seebeck coefficient, are used to calculate the power factor of the deposited thin films and, their variations with temperature are measured. We report a maximum power factor of 0.41 mW/mK{sup 2} for the film deposited at a 200 .deg. C substrate temperature.

  17. X-ray photoelectron spectroscopy study and thermoelectric properties of Al-doped ZnO thin films

    International Nuclear Information System (INIS)

    Li Li; Fang Liang; Zhou Xianju; Liu Ziyi; Zhao Liang; Jiang Sha

    2009-01-01

    In this paper, high quality Al-doped ZnO (AZO) thin films were prepared by direct current (DC) reactive magnetron sputtering using a Zn target (99.99%) containing Al of 1.5 wt.%. The films obtained were characterized by X-ray photoelectron spectroscopy (XPS) and thermoelectric measurements. The XPS results reveal that Zn and Al exist only in oxidized state, while there are dominant crystal lattice and rare adsorbed oxygen for O in the annealed AZO thin films. The studies of thermoelectric property show a striking thermoelectric effect in the AZO thin films. On the one hand, the thermoelectromotive and magnetothermoelectromotive forces increase linearly with increasing temperature difference (ΔT). On the other hand, the thermoelectric power (TEP) decreases with the electrical resistance of the sample. But the TEP increases with the increase of temperature below 300 K, and it nearly does not change around room temperature. The experimental results also demonstrate that the annealing treatment increases TEP, while the external magnetic field degrades TEP.

  18. Thermoelectric properties of ternary phases of thallium-tin-tellurium system

    Energy Technology Data Exchange (ETDEWEB)

    Dichi, E. [Equipe materiaux et sante, faculte de pharmacie, universite Paris XI, 5, rue J.B, EA 401, Clement 92296 Chatenay-Malabry (France)], E-mail: emma.dichi@cep.u-psud.fr; Sghaier, M. [Equipe materiaux et sante, faculte de pharmacie, universite Paris XI, 5, rue J.B, EA 401, Clement 92296 Chatenay-Malabry (France); Kra, G. [Laboratoire de chimie minerale, universite de Cocody, 22, BP 582, Abidjan 22, Cote d' Ivoire (France)

    2008-06-30

    In this paper, we present the measurements of conductivity and of thermoelectric power. Measurements were taken for the temperature range of 100-330 K for the three ternary phases of Tl-Sn-Te system. The potential of these compounds as thermoelectric materials was studied.

  19. Thermoelectric properties of 3D topological insulator: Direct observation of topological surface and its gap opened states

    Science.gov (United States)

    Matsushita, Stephane Yu; Huynh, Khuong Kim; Yoshino, Harukazu; Tu, Ngoc Han; Tanabe, Yoichi; Tanigaki, Katsumi

    2017-10-01

    We report thermoelectric (TE) properties of topological surface Dirac states (TSDS) in three-dimensional topological insulators (3D-TIs) purely isolated from the bulk by employing single-crystal B i2 -xS bxT e3 -yS ey films epitaxially grown in the ultrathin limit. Two intrinsic nontrivial topological surface states, a metallic TSDS (m-TSDS) and a gap-opened semiconducting topological state (g-TSDS), are successfully observed by electrical transport, and important TE parameters [electrical conductivity (σ), thermal conductivity (κ), and thermopower (S )] are accurately determined. Pure m-TSDS gives S =-44 μ V K-1 , which is an order of magnitude higher than those of the conventional metals and the value is enhanced to -212 μ V K-1 for g-TSDS. It is clearly shown that the semiclassical Boltzmann transport equation (SBTE) in the framework of constant relaxation time (τ) most frequently used for conventional analysis cannot be valid in 3D-TIs and strong energy dependent relaxation time τ(E ) beyond the Born approximation is essential for making intrinsic interpretations. Although σ is protected on the m-TSDS, κ is greatly influenced by the disorder on the topological surface, giving a dissimilar effect between topologically protected electronic conduction and phonon transport.

  20. The structural properties of InGaN alloys and the interdependence on the thermoelectric behavior

    Directory of Open Access Journals (Sweden)

    Bahadir Kucukgok

    2016-02-01

    Full Text Available The III-Nitrides are promising candidate for high efficiency thermoelectric (TE materials and devices due to their unique features which includes high thermal stability. A systematic study of the room temperature TE properties of metalorganic chemical vapor deposition grown InxGa1-xN were investigated for x =  0.07 to 0.24. This paper investigated the role of indium composition on the TE properties of InGaN alloys in particular the structural properties for homogenous material that did not show significant phase separation. The highest Seebeck and power factor values of 507 μV K−1 and 21.84 × 10−4 Wm−1K−1 were observed, respectively for In0.07Ga0.93N at room temperature. The highest value of figure-of-merit (ZT was calculated to be 0.072 for In0.20Ga0.80N alloy at room temperature.

  1. The structural properties of InGaN alloys and the interdependence on the thermoelectric behavior

    Energy Technology Data Exchange (ETDEWEB)

    Kucukgok, Bahadir; Lu, Na, E-mail: Luna@purdue.edu [Lyles School of Civil Engineering, Purdue University, West Lafayette, IN 47907 (United States); Wu, Xuewang; Wang, Xiaojia [Department of Mechanical Engineering, University of Minnesota, Minneapolis, MN 55455 (United States); Liu, Zhiqiang [Institute of Semiconductors, Chinese Academy of Science, Beijing (China); Ferguson, Ian T. [College of Engineering and Computing, Missouri University of Science and Technology, Rolla, MO 65409 (United States)

    2016-02-15

    The III-Nitrides are promising candidate for high efficiency thermoelectric (TE) materials and devices due to their unique features which includes high thermal stability. A systematic study of the room temperature TE properties of metalorganic chemical vapor deposition grown In{sub x}Ga{sub 1-x}N were investigated for x =  0.07 to 0.24. This paper investigated the role of indium composition on the TE properties of InGaN alloys in particular the structural properties for homogenous material that did not show significant phase separation. The highest Seebeck and power factor values of 507 μV K{sup −1} and 21.84 × 10{sup −4} Wm{sup −1}K{sup −1} were observed, respectively for In{sub 0.07}Ga{sub 0.93}N at room temperature. The highest value of figure-of-merit (ZT) was calculated to be 0.072 for In{sub 0.20}Ga{sub 0.80}N alloy at room temperature.

  2. Electronic and thermoelectric properties of InN studied using ab initio density functional theory and Boltzmann transport calculations

    Energy Technology Data Exchange (ETDEWEB)

    Borges, P. D., E-mail: pdborges@gmail.com, E-mail: lscolfaro@txstate.edu; Scolfaro, L., E-mail: pdborges@gmail.com, E-mail: lscolfaro@txstate.edu [Department of Physics, Texas State University, San Marcos, Texas 78666 (United States)

    2014-12-14

    The thermoelectric properties of indium nitride in the most stable wurtzite phase (w-InN) as a function of electron and hole concentrations and temperature were studied by solving the semiclassical Boltzmann transport equations in conjunction with ab initio electronic structure calculations, within Density Functional Theory. Based on maximally localized Wannier function basis set and the ab initio band energies, results for the Seebeck coefficient are presented and compared with available experimental data for n-type as well as p-type systems. Also, theoretical results for electric conductivity and power factor are presented. Most cases showed good agreement between the calculated properties and experimental data for w-InN unintentionally and p-type doped with magnesium. Our predictions for temperature and concentration dependences of electrical conductivity and power factor revealed a promising use of InN for intermediate and high temperature thermoelectric applications. The rigid band approach and constant scattering time approximation were utilized in the calculations.

  3. Thermoelectric properties of V{sub 2}O{sub 5} thin films deposited by thermal evaporation

    Energy Technology Data Exchange (ETDEWEB)

    Santos, R.; Loureiro, J., E-mail: joa.loureiro@gmail.com; Nogueira, A.; Elangovan, E.; Pinto, J.V.; Veiga, J.P.; Busani, T.; Fortunato, E.; Martins, R.; Ferreira, I., E-mail: imf@fct.unl.pt

    2013-10-01

    This work reports the structural, optical, electrical and thermoelectric properties of vanadium pentoxide (V{sub 2}O{sub 5}) thin films deposited at room temperature by thermal evaporation on Corning glass substrates. A post-deposition thermal treatment up to 973 K under atmospheric conditions induces the crystallization of the as-deposited amorphous films with an orthorhombic V{sub 2}O{sub 5} phase with grain sizes around 26 nm. As the annealing temperature rises up to 773 K the electrical conductivity increases. The films exhibit thermoelectric properties with a maximum Seebeck coefficient of −218 μV/K and electrical conductivity of 5.5 (Ω m){sup −1}. All the films show NIR-Vis optical transmittance above 60% and optical band gap of 2.8 eV.

  4. Analysis of thermoelectric properties of amorphous InGaZnO thin film by controlling carrier concentration

    Directory of Open Access Journals (Sweden)

    Yuta Fujimoto

    2015-09-01

    Full Text Available We have investigated the thermoelectric properties of amorphous InGaZnO (a-IGZO thin films optimized by adjusting the carrier concentration. The a-IGZO films were produced under various oxygen flow ratios. The Seebeck coefficient and the electrical conductivity were measured from 100 to 400 K. We found that the power factor (PF at 300 K had a maximum value of 82 × 10−6 W/mK2, where the carrier density was 7.7 × 1019 cm−3. Moreover, the obtained data was analyzed by fitting the percolation model. Theoretical analysis revealed that the Fermi level was located approximately above the potential barrier when the PF became maximal. The thermoelectric properties were controlled by the relationship between the position of Fermi level and the height of potential energy barriers.

  5. Synthesis, characterization and enhanced thermoelectric performance of structurally ordered cable-like novel polyaniline–bismuth telluride nanocomposite

    International Nuclear Information System (INIS)

    Chatterjee, Krishanu; Mitra, Mousumi; Banerjee, Dipali; Kargupta, Kajari; Ganguly, Saibal

    2013-01-01

    Bismuth telluride (Bi 2 Te 3 ) nanorods and polyaniline (PANI) nanoparticles have been synthesized by employing solvothermal and chemical oxidative processes, respectively. Nanocomposites, comprising structurally ordered PANI preferentially grown along the surface of a Bi 2 Te 3 nanorods template, are synthesized using in situ polymerization. X-ray powder diffraction, UV–vis and Raman spectral analysis confirm the highly ordered chain structure of PANI on Bi 2 Te 3 nanorods, leading to a higher extent of doping, higher chain mobility and enhancement of the thermoelectric performance. Above 380 K, the PANI–Bi 2 Te 3 nanocomposite with a core–shell/cable-like structure exhibits a higher thermoelectric power factor than either pure PANI or Bi 2 Te 3 . At room temperature the thermal conductivity of the composite is lower than that of its pure constituents, due to selective phonon scattering by the nanointerfaces designed in the PANI–Bi 2 Te 3 nanocable structures. The figure of merit of the nanocomposite at room temperature is comparable to the values reported in the literature for bulk polymer-based composite thermoelectric materials. (paper)

  6. Thermoelectric and mechanical properties of spark plasma sintered Cu{sub 3}SbSe{sub 3} and Cu{sub 3}SbSe{sub 4}: Promising thermoelectric materials

    Energy Technology Data Exchange (ETDEWEB)

    Tyagi, Kriti; Gahtori, Bhasker; Bathula, Sivaiah; Toutam, Vijaykumar; Sharma, Sakshi; Singh, Niraj Kumar; Dhar, Ajay, E-mail: adhar@nplindia.org [CSIR-Network of Institutes for Solar Energy, Materials Physics and Engineering, CSIR-National Physical Laboratory, Dr. K. S. Krishnan Road, New Delhi 110012 (India)

    2014-12-29

    We report the synthesis of thermoelectric compounds, Cu{sub 3}SbSe{sub 3} and Cu{sub 3}SbSe{sub 4}, employing the conventional fusion method followed by spark plasma sintering. Their thermoelectric properties indicated that despite its higher thermal conductivity, Cu{sub 3}SbSe{sub 4} exhibited a much larger value of thermoelectric figure-of-merit as compared to Cu{sub 3}SbSe{sub 3}, which is primarily due to its higher electrical conductivity. The thermoelectric compatibility factor of Cu{sub 3}SbSe{sub 4} was found to be ∼1.2 as compared to 0.2 V{sup −1} for Cu{sub 3}SbSe{sub 3} at 550 K. The results of the mechanical properties of these two compounds indicated that their microhardness and fracture toughness values were far superior to the other competing state-of-the-art thermoelectric materials.

  7. Fe-Doping Effect on Thermoelectric Properties of p-Type Bi0.48Sb1.52Te3

    Directory of Open Access Journals (Sweden)

    Hyeona Mun

    2015-03-01

    Full Text Available The substitutional doping approach has been shown to be an effective strategy to improve ZT of Bi2Te3-based thermoelectric raw materials. We herein report the Fe-doping effects on electronic and thermal transport properties of polycrystalline bulks of p-type Bi0.48Sb1.52Te3. After a small amount of Fe-doping on Bi/Sb-sites, the power factor could be enhanced due to the optimization of carrier concentration. Additionally, lattice thermal conductivity was reduced by the intensified point-defect phonon scattering originating from the mass difference between the host atoms (Bi/Sb and dopants (Fe. An enhanced ZT of 1.09 at 300 K was obtained in 1.0 at% Fe-doped Bi0.48Sb1.52Te3 by these synergetic effects.

  8. Pressure induced structural transitions in Lead Chalcogenides and its influence on thermoelectric properties

    Science.gov (United States)

    Petersen, John; Spinks, Michael; Borges, Pablo; Scolfaro, Luisa

    2012-03-01

    Lead chalcogenides, most notably PbTe and PbSe, have become an active area of research due to their thermoelectric (TE) properties. The high figure of merit (ZT) of these materials has brought much attention to them, due to their ability to convert waste heat into electricity, with a possible application being in engine exhaust. Here, we examine the effects of altering the lattice parameter on total ground state energy and the band gap using first principles calculations performed within Density Functional Theory and the Projector Augmented Wave approach and the Vienna Ab-initio Simulation Package (VASP-PAW) code. Both PbTe and PbSe, in NaCl, orthorhombic, and CsCl structures are considered. It is found that altering the lattice parameter, which is analogous to applying external pressure on the material experimentally, has notable effects on both ground state energy and the band gap. The implications of this behavior in the TE properties of these materials are analyzed.

  9. Nano-Micro Materials Enabled Thermoelectricity From Window Glasses

    KAUST Repository

    Inayat, Salman Bin

    2012-11-03

    With growing world population and decreasing fossil fuel reserves we need to explore and utilize variety of renewable and clean energy sources to meet the imminent challenge of energy crisis. Solar energy is considered as the leading promising alternate energy source with the pertinent challenge of off sunshine period and uneven worldwide distribution of usable sun light. Although thermoelectricity is considered as a reasonable energy harvester from wasted heat, its mass scale usage is yet to be developed. By transforming window glasses into generators of thermoelectricity, this doctoral work explores engineering aspects of using the temperature gradient between the hot outdoor heated by the sun and the relatively cold indoor of a building for mass scale energy generation. In order to utilize the two counter temperature environments simultaneously, variety of techniques, including: a) insertion of basic metals like copper and nickel wire, b) sputtering of thermoelectric films on side walls of individual glass strips to form the thickness depth of the glass on subsequent curing of the strips, and c) embedding nano-manufactured thermoelectric pillars, have been implemented for innovative integration of thermoelectric materials into window glasses. The practical demonstration of thermoelectric windows has been validated using a finite element model to predict the behavior of thermoelectric window under variety of varying conditions. MEMS based characterization platform has been fabricated for thermoelectric characterization of thin films employing van der Pauw and four probe modules. Enhancement of thermoelectric properties of the nano- manufactured pillars due to nano-structuring, achieved through mechanical alloying of micro-sized thermoelectric powders, has been explored. Modulation of thermoelectric properties of the nano-structured thermoelectric pillars by addition of sulfur to nano-powder matrix has also been investigated in detail. Using the best possible p

  10. High – temperature thermoelectric properties of Hg – doped CuInTe2

    Czech Academy of Sciences Publication Activity Database

    Kucek, V.; Drašar, Č.; Kašparová, J.; Plecháček, T.; Navrátil, Jiří; Vlček, Milan; Beneš, L.

    2015-01-01

    Roč. 118, č. 12 (2015), 125105-1 - 125105-7 ISSN 0021-8979 Institutional support: RVO:61389013 Keywords : thermoelectric materials * Hall coefficient * Seebeck coefficient Subject RIV: CA - Inorganic Chemistry Impact factor: 2.101, year: 2015

  11. Effects of Synthesis and Processing on the Thermoelectric Properties of Ca3Co4O9+δ

    DEFF Research Database (Denmark)

    Wu, NingYu; Holgate, Tim; Van Nong, Ngo

    In the present study, Ca3Co4O9+δ was synthesized by solid-state and sol-gel reactions followed by spark plasma sintering (SPS) under different conditions such as sintering temperatures, applied pressures and ramping rates. The materials were then characterized with respect to their microstructure......, phase purity and thermoelectric properties. With the identical optimal SPS process, the power factor of about 400 µW/m•K2 and 465 µW/m•K2 (at 800 °C) is measured from samples produced by solid-state and sol-gel reactions respectively, both of these values are higher than the value reported so far....... The thermoelectric performance improvement observed for the solid-state and sol-gel reactions suggests that the particle sizes may be a predominant key parameter of the Ca3Co4O9+δ thermoelectric properties. Smaller particle size (500 nm) as produced in this study by sol-gel synthesis method with optimal SPS process...

  12. Thermoelectric properties of thin film and superlattice structure of IV-VI and V-VI compound semiconductors

    International Nuclear Information System (INIS)

    Blumers, Mathias

    2012-01-01

    The basic material property governing the efficiency of thermoelectric applications is the thermoelectric figure of merit Z=S 2 .σ/k, where S is the Seebeck-coefficient, σ is the electrical conductivity and k the thermal conductivity. A promising concept of increasing Z by one and two dimensional quantum well superlattices (QW-SL) was introduced in the early 1990s in terms of theoretical predictions. The realization of such low dimensional systems is done by use of semiconductor compounds with different energy gaps. The ambition of the Nitherma project was to investigate the thermoelectric properties of superlattices and Multi-Quantum-Well-structures (MQW) made of Pb 1-x Sr x Te and Bi 2 (Se x Te 1-x ) 3 , respectively. Therefore SL- and MQW-structures of this materials were grown and Z was determined by measuring of S, σ and κ parallel to the layer planes. Aim of this thesis is the interpretation of the transport measurements (S,σ,κ) of low dimensional structures and the improvement of preparation and measurement techniques. The influence of low dimensionality on the thermal conductivity in SL- and MQW-structures was investigated by measurements on structures with different layer thicknesses. In addition, measurements of the Seebeck-coefficient were performed, also to verify the results of the participating groups.

  13. Disordered Zinc in Zn4Sb3 with Phonon-Glass and Electron-Crystal Thermoelectric Properties

    Science.gov (United States)

    Snyder, G. Jeffrey; Christensen, Mogens; Nishibori, Eiji; Caillat, Thierry; Brummerstedt Iversen, Bo

    2004-01-01

    By converting waste heat into electricity, thermoelectric generators could be an important part of the solution to today's energy challenges. The compound Zn4Sb3 is one of the most efficient thermoelectric materials known. Its high efficiency results from an extraordinarily low thermal conductivity in conjunction with the electronic structure of a heavily doped semiconductor. Previous structural studies have been unable to explain this unusual combination of properties. Here, we show through a comprehensive structural analysis using single-crystal X-ray and powder-synchrotron-radiation diffraction methods, that both the electronic and thermal properties of Zn4Sb3 can be understood in terms of unique structural features that have been previously overlooked. The identification of Sb3- ions and Sb-2(4-) dimers reveals that Zn4Sb3 is a valence semiconductor with the ideal stoichiometry Zn13Sb10. In addition, the structure contains significant disorder, with zinc atoms distributed over multiple positions. The discovery of glass-like interstitial sites uncovers a highly effective mechanism for reducing thermal conductivity. Thus Zn4Sb3 is in many ways an ideal 'phonon glass, electron crystal' thermoelectric material.

  14. Eco-friendly p-type Cu2SnS3 thermoelectric material: crystal structure and transport properties

    Science.gov (United States)

    Shen, Yawei; Li, Chao; Huang, Rong; Tian, Ruoming; Ye, Yang; Pan, Lin; Koumoto, Kunihito; Zhang, Ruizhi; Wan, Chunlei; Wang, Yifeng

    2016-01-01

    As a new eco-friendly thermoelectric material, copper tin sulfide (Cu2SnS3) ceramics were experimentally studied by Zn-doping. Excellent electrical transport properties were obtained by virtue of 3-dimensionally conductive network for holes, which are less affected by the coexistence of cubic and tetragonal phases that formed upon Zn subsitition for Sn; a highest power factors ~0.84 mW m−1 K−2 at 723 K was achieved in the 20% doped sample. Moreover, an ultralow lattice thermal conductivity close to theoretical minimum was observed in these samples, which could be related to the disordering of atoms in the coexisting cubic and tetragonal phases and the interfaces. Thanks to the phonon-glass-electron-crystal features, a maximum ZT ~ 0.58 was obtained at 723 K, which stands among the tops for sulfide thermoelectrics at the same temperature. PMID:27666524

  15. High temperature thermoelectric properties of p-type skutterudites BaxYbyCo4-zFezSb12

    KAUST Repository

    Dong, Y.

    2012-01-01

    Several polycrystalline p-type skutterudites with compositions Ba xYb yCo 4-zFe zSb 12, with varying filler concentrations x and y, and z = 1 to 2, were synthesized by reacting the constituents and subsequent solid state annealing, followed by densification by hot-pressing. Their thermoelectric properties were evaluated from 300 to 820 K. The Yb filling fraction increased with Fe content while the amount of Fe substitution had little influence on the Ba filling fraction. High purity specimens were obtained when the Fe content was low. Bipolar conduction contributed to the thermal conductivity at elevated temperatures. A maximum ZT value of 0.7 was obtained at 750 K for the specimen with the highest Fe content and filling fraction. The potential for thermoelectric applications is also discussed. © 2012 American Institute of Physics.

  16. Microstructure and thermoelectric properties of doped p-type CoSb3 under TGZM effect

    Science.gov (United States)

    Wang, Hongqiang; Li, Shuangming; Li, Xin; Zhong, Hong

    2017-05-01

    The Co-96.9 wt% Sb hypoeutectic alloy doped by 0.12 wt% YbFe was solidified in a Bridgman-type furnace based on temperature gradient zone melting (TGZM) effect. A mushy zone was observed between the complete liquid zone and the solid zone at different thermal stabilization time ranging from 15 min to 40 h. The mushy-zone solidified microstructures of the alloy only consist of CoSb3 and Sb phase. After 40 h thermal stabilization time, the volume fraction of CoSb3 in the mushy zone increases significantly up to 99.6% close to the solid-liquid interface. The hardness and fracture toughness of doped CoSb3 can reach 7.01 ± 0.69 GPa and 0.78 ± 0.08 MPa·m1/2, respectively. Meanwhile, the thermoelectric properties of the alloy were measured ranging from room temperature (RT) to 850 K. The Seebeck coefficient of the specimen prepared by TGZM effect after 40 h could reach 155 μV/K and the ZT value is 0.47 at 660 K, showing that it is feasible to prepare CoSb3 bulk material via TGZM effect. As a simple and one-step solidification method, the TGZM technique could be applied in the preparation of skutterudite compounds.

  17. Microstructure and thermoelectric properties of CuInSe2/In2Se3 compound

    Science.gov (United States)

    Wang, Kang; Feng, Jing; Ge, Zhen-Hua; Qin, Peng; Yu, Jie

    2018-01-01

    CuInSe2 powders were synthesized by solvothermal method, and then the CuInSe2/In2Se3 bulk samples were fabricated by spark plasma sintering (SPS) technique. To investigate the phase composition, the powders were determined by X-ray diffraction (XRD). The microstructures of the powders and bulk samples were observed by scanning electron microscopy (SEM). The transportation of the electronic properties and thermal conductivity were measured at room temperature to 700 K. According to the results, the CuInSe2 powders appeared in flower-like patterns which ranged from 3 μm to 6 μm. CuInSe2 powders were synthesized at 180∘C with a chalcopyrite structure. The Seebeck coefficient increased significantly in composite thermoelectric materials up to 200μVṡK-1 at 623 K. The thermal conductivity of the sample significantly decreases from the room temperature to 700 K. The CuInSe2 bulk composite by solvothermal method achieves the highest ZT value of 0.187 at 700 K.

  18. Synthesis and Thermoelectric Properties of Ni-Doped ZrCoSb Half-Heusler Compounds

    Directory of Open Access Journals (Sweden)

    Degang Zhao

    2018-01-01

    Full Text Available The Ni-doped ZrCo1−xNixSb half-Heusler compounds were prepared by arc-melting and spark plasma sintering technology. X-ray diffraction analysis results showed that all samples were crystallized in a half-Heusler phase. Thermoelectric properties of ZrCo1−xNixSb compounds were measured from room temperature to 850 K. The electrical conductivity and the absolute value of Seebeck coefficient increased with the Ni-doping content increasing due to the Ni substitution at Co. sites. The lattice thermal conductivity of ZrCo1−xNixSb samples was depressed dramatically because of the acoustic phonon scattering and point defect scattering. The figure of merit of ZrCo1−xNixSb compounds was improved due to the decreased thermal conductivity and improved power factor. The maximum ZT value of 0.24 was achieved for ZrCo0.92Ni0.08Sb sample at 850 K.

  19. Thermoelectric Properties in Fermi Level Tuned Topological Materials (Bi1-xSnx)2Te3

    Science.gov (United States)

    Lin, Chan-Chieh; Shon, Won Hyuk; Rathnam, Lydia; Rhyee, Jong-Soo

    2018-03-01

    We investigated the thermoelectric properties of Sn-doped (Bi1-xSnx)2Te3 (x = 0, 0.1, 0.3, 0.5, and 0.7%) compounds, which is known as topological insulators. Fermi level tuning by Sn-doping can be justified by the n- to p-type transition with increasing Sn-doping concentration, as confirmed by Seebeck coefficient and Hall coefficient. Near x = 0.3 and 0.5%, the Fermi level resides inside the bulk band gap, resulting in a low Seebeck coefficient and increase of electrical resistivity. The magnetoconductivity with applying magnetic field showed weak antilocalization (WAL) effect for pristine Bi2Te3 while Sn-doped compounds do not follow the WAL behavior of magneto-conductivity, implying that the topological surface Dirac band contribution in magneto-conductivity is suppressed with decreasing the Fermi level by Sn-doping. This research can be applied to the topological composite of p-type/n-type topological materials by Fermi level tuning via Sn-doping in Bi2Te3 compounds.

  20. Thermoelectric properties of graphene nanosheets-modified polyaniline hybrid nanocomposites by an in situ chemical polymerization

    International Nuclear Information System (INIS)

    Lu, Yan; Song, Ying; Wang, Fuping

    2013-01-01

    A hybrid material of polyaniline protonated with hydrochloric acid and conductive graphene nanosheets (PANi/GNs) has been prepared by an in situ chemical polymerization method. The interactions between PANi and GNs in the hybrid composites are investigated by utilizing XRD, FT-IR, UV–vis and Raman. It is found that the PANi are adsorbed on the surface of the GNs, and the morphology of PANi transforms from twist structure to extended structure after the GNs are introduced. The thermoelectric (TE) properties of PANi/GNs composites have been investigated in the range from 323 K to 453 K. The electrical conductivity and the Seebeck coefficient of PANi/GNs composites are obviously higher than those of the PANi, while the thermal conductivity of the composites still keeps relatively low values even with high GNs content, resulting in the increase in dimensionless figure of merit (ZT). A highest ZT value of 1.95 × 10 −3 has been obtained for the composite containing 30 wt % GNs at 453 K, which is about 70 times higher than that obtained from the PANi. - Highlights: ► PANi adsorbed on the surface of the GNs possesses more extended structure. ► Electrical conductivity and Seebeck coefficient of PANi/GNs composites are superior to those of PANi. ► Thermal conductivity of the composites still keeps relatively low values

  1. Thermoelectric properties and thermal stability of Bi-doped PbTe single crystal

    Science.gov (United States)

    Chen, Zhong; Li, Decong; Deng, Shuping; Tang, Yu; Sun, Luqi; Liu, Wenting; Shen, Lanxian; Yang, Peizhi; Deng, Shukang

    2018-06-01

    In this study, n-type Bi-doped single-crystal PbTe thermoelectric materials were prepared by melting and slow cooling method according to the stoichiometric ratio of Pb:Bi:Te = 1-x:x:1 (x = 0, 0.1, 0.15, 0.2, 0.25). The X-ray diffraction patterns of Pb1-xBixTe samples show that all main diffraction peaks are well matched with the PbTe matrix, which has a face-centered cubic structure with the space group Fm 3 bar m . Electron probe microanalysis reveals that Pb content decreases gradually, and Te content remains invariant basically with the increase of Bi content, indicating that Bi atoms are more likely to replace Pb atoms. Thermal analysis shows that the prepared samples possess relatively high thermal stability. Simultaneously, transmission electron microscopy and selected area electron diffraction pattern indicate that the prepared samples have typical single-crystal structures with good mechanical properties. Moreover, the electrical conductivity of the prepared samples improved significantly compared with that of the pure sample, and the maximum ZT value of 0.84 was obtained at 600 K by the sample with x = 0.2.

  2. Electronic structure and high thermoelectric properties of a new material Ba{sub 3}Cu{sub 20}Te{sub 13}

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Gui, E-mail: kuiziyang@126.com [College of Physics and Electrical Engineering, Anyang Normal University, Anyang, Henan, 455000 (China); Wu, Jinghe [Department of Physics and Electronic Engineering, Henan Institute of Education, Zhengzhou, 450046 (China); Zhang, Jing; Ma, Dongwei [College of Physics and Electrical Engineering, Anyang Normal University, Anyang, Henan, 455000 (China)

    2016-09-05

    The electronic structure and high thermoelectric properties of Ba{sub 3}Cu{sub 20}Te{sub 13} are studied using first principles calculations and the semiclassical Boltzmann theory. The coexistence of ionic and covalent bonding in Ba{sub 3}Cu{sub 20}Te{sub 13} indicates that it is a Zintl phase compound. The calculated band structure shows that the compound is a semiconductor with an indirect band gap ∼0.45 eV, which is an appropriate band for the high thermoelectric performance. The transport calculations based on the electronic structure indicate that it exhibits relatively large Seebeck coefficients, high electrical conductivities, and high power factor. For Ba{sub 3}Cu{sub 20}Te{sub 13}, the n-type doping may achieve a higher thermoelectric performance than that of p-type doping. It is worth noting that the thermoelectric parameters of Ba{sub 3}Cu{sub 20}Te{sub 13} are comparable or larger than that of Ca{sub 5}Al{sub 2}Sb{sub 6}, a typical Zintl compound representative with high thermoelectric performance. - Highlights: • The electronic structure and thermoelectric(TE) properties are firstly studied. • The heavy and light bands near the Fermi level benefit TE properties. • The comparison indicates Ba{sub 3}Cu{sub 20}Te{sub 13} is a potential high TE material.

  3. Enhanced thermoelectric performance of xMoS{sub 2}–TiS{sub 2} nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Ye, Yang; Wang, Yulong; Shen, YaWei [College of Materials Science and Engineering, Nanjing Tech University, Nanjing 210009 (China); Wang, Yifeng, E-mail: yifeng.wang@njtech.edu.cn [College of Materials Science and Engineering, Nanjing Tech University, Nanjing 210009 (China); Pan, Lin [College of Materials Science and Engineering, Nanjing Tech University, Nanjing 210009 (China); Tu, Rong [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Lu, Chunhua [College of Materials Science and Engineering, Nanjing Tech University, Nanjing 210009 (China); Huang, Rong [School of Information Science and Technology, East China Normal University, Shanghai 200062 (China); Koumoto, Kunihito [Toyota Physical and Chemical Research Institute, Nagakute 4801192 (Japan)

    2016-05-05

    A series of nanocomposite ceramics of micro-scale TiS{sub 2} containing MoS{sub 2} nanoparticles mainly embedded along grain boundaries were prepared and investigated attempting to enhance the thermoelectric performance of TiS{sub 2}. Results show that, compared with that of pristine TiS{sub 2} ceramic, the power factor of the composites was improved by virtues of enhanced Seebeck coefficient that should be brought out due to reduced carrier concentration and electron scattering or filtering at the MoS{sub 2}/matrix interfaces. Moreover, thanks to the significantly reduced thermal conductivity that originated from the intensified multi-scale phonon scattering and the decreased electronic contribution, a maximal ZT value of 0.29 at 573 K was obtained in the sample with 3 mol % MoS{sub 2}, which is 60% higher than that of pristine TiS{sub 2}. These findings promise nanocomposite as an effective approach to suppress its thermal conduction without degradation of power factor and thus to enhance the performance of TiS{sub 2}-based thermoelectrics. - Highlights: • Nanocomposites of TiS{sub 2} including nano-MoS{sub 2} were prepared by SPS. • Distribution of MoS{sub 2} mainly along the boundaries was confirmed. • Seebeck coefficient increased by reduced electron density with electron filtering. • Thermal conductivity decreased by suppressed phonon and electron transport. • A maximal ZT value of 0.29 was obtained at 573 K.

  4. Evaluation of power conditioning architectures for energy production enhancement in thermoelectric generator systems

    DEFF Research Database (Denmark)

    Wu, Hongfei; Sun, Kai; Chen, Min

    2014-01-01

    A large-scale thermoelectric generator (TEG) system has an unbalanced temperature distribution among the TEG modules, which leads to power mismatch among the modules and decreases the power output of the TEG system. To maximize the power output and minimize the power conversion loss, a centralize...

  5. The thermoelectric process

    Energy Technology Data Exchange (ETDEWEB)

    Vining, C B

    1997-07-01

    The efficiency of thermoelectric technology today is limited by the properties of available thermoelectric materials and a wide variety of new approaches to developing better materials have recently been suggested. The key goal is to find a material with a large ZT, the dimensionless thermoelectric figure of merit. However, if an analogy is drawn between thermoelectric technology and gas-cycle engines then selecting different materials for the thermoelements is analogous to selecting a different working gas for the mechanical engine. And an attempt to improve ZT is analogous to an attempt to improve certain thermodynamic properties of the working-gas. An alternative approach is to focus on the thermoelectric process itself (rather than on ZT), which is analogous to considering alternate cycles such as Stirling vs. Brayton vs. Rankine etc., rather than merely considering alternative gases. Focusing on the process is a radically different approach compared to previous studies focusing on ZT. Aspects of the thermoelectric process and alternative approaches to efficient thermoelectric conversion are discussed.

  6. Thermoelectric properties of Co4Sb12 with Bi2Te3 nanoinclusions.

    Science.gov (United States)

    Ghosh, Sanyukta; Bisht, Anuj; Karati, Anirudha; Rogl, Gerda; Rogl, Peter; Murty, B S; Suwas, Satyam; Mallik, Ramesh Chandra

    2018-02-12

    The figure of merit (zT) of a thermoelectric material can be enhanced by incorporation of nanoinclusions into bulk material. The presence of bismuth telluride (Bi 2 Te 3 ) nanoinclusions in Co 4 Sb 12 leads to lower phonon thermal conductivity by introducing interfaces and defects; it enhances the average zT between 300-700 K. In the current study, Bi 2 Te 3 nanoparticles were dispersed into bulk Co 4 Sb 12 by ball-milling. The bulk was fabricated by spark plasma sintering. The presence of Bi 2 Te 3 dispersion in Co 4 Sb 12 was confirmed by x-ray diffraction, scanning electron microscopy, transmission electron microscopy and electron back scattered diffraction technique. Energy dispersive spectroscopy showed antimony (Sb) as an impurity phase for higher contents of Bi 2 Te 3 in the sample. The Seebeck coefficient (S) and electrical conductivity (σ) were measured in the temperature range of 350-673 K. The negative value of S indicates that most of the charge carriers were electrons. A decrease in S and increase in σ with Bi 2 Te 3 content are due to the increased carrier concentration, as confirmed by Hall measurement. The thermal conductivity, measured between 423-673 K, decreased due to the increased phonon scattering at interfaces. A maximum zT of 0.17 was achieved at 523 K and it did not vary much throughout the temperature range. The experimental results of composites were compared by using effective medium theories.

  7. Thermoelectric properties of Co4Sb12 with Bi2Te3 nanoinclusions.

    Science.gov (United States)

    Ghosh, Sanyukta; Bisht, Anuj; Karati, Anirudha; Rogl, Gerda; Rogl, Peter F; Murty, B S; Suwas, Satyam; Mallik, Ramesh Chandra

    2018-01-08

    The figure of merit (zT) of a thermoelectric material can be enhanced by incorporation of nanoinclusions into bulk material. The presence of bismuth telluride (Bi2Te3) nanoinclusions in Co4Sb12 leads to lower phonon thermal conductivity by introducing interfaces and defects; it enhances the average zT between 300-700 K. In the current study, Bi2Te3 nanoparticles were dispersed into bulk Co4Sb12 by ball-milling. The bulk was fabricated by spark plasma sintering (SPS). The presence of Bi2Te3 dispersion in Co4Sb12 was confirmed by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and electron back scattered diffraction (EBSD) technique. Energy dispersive spectroscopy (EDS) showed antimony (Sb) as an impurity phase for higher contents of Bi2Te3 in the sample. The Seebeck coefficient (S) and electrical conductivity () were measured in the temperature range of 350 - 673 K. The negative value of S indicates that most of the charge carriers were electrons. A decrease in S and increase in with Bi2Te3 content are due to the increased carrier concentration, as confirmed by Hall measurement. The thermal conductivity, measured between 423 - 673 K, decreased due to the increased phonon scattering at interfaces. A maximum zT of 0.17 was achieved at 523 K and it did not vary much throughout the temperature range. The experimental results of composites were compared by using effective medium theories. © 2018 IOP Publishing Ltd.

  8. Thermoelectric properties of Nd0.75Sr1.25CoO4 thin films

    International Nuclear Information System (INIS)

    Huang, S.L.; Ruan, K.Q.; Jiao, X.L.; Wu, H.Y.; Lv, Z.M.; Pang, Z.Q.; Liu, J.; Yang, H.S.; Wu, W.B.; Cao, L.Z.; Li, X.G.

    2007-01-01

    Temperature dependence of the electrical resistivity (ρ) and thermopower (S) in the ab-plane of Nd 0.75 Sr 1.25 CoO 4 thin films have been investigated systematically in the temperature range 70 K< T<310 K. The specimen presents a p-type semiconducting transport property. The S nearly keeps constant at high temperatures and decreases at low ones with an additional step-like decrease, which was argued to be intimately related with the magnetic properties of the specimen. The resistivity follows the Arrhenius law. And the large value of the power factor suggests the films may be a good candidate for the thermoelectric material

  9. Investigation of the correlation between stoichiometry and thermoelectric properties in a PtSb2 single crystal

    DEFF Research Database (Denmark)

    Søndergaard, Martin; Christensen, Mogens; Bjerg, Lasse

    2012-01-01

    utilizing X-Ray Diffraction and Energy Dispersive X-Ray Spectroscopy. The correlation between Pt/Sb ratio and physical property parameters - Seebeck coefficient, mobility, resistivity and charge carrier concentration - was studied. Elemental analysis by Energy Dispersive X-Ray Spectroscopy, X......The thermoelectric properties of a PtSb2 single crystal containing a stoichiometric gradient were investigated. The gradient was produced by employing a Stockbarger synthesis technique. The gradient was observed through the use of spatial resolved Seebeck coefficient measurements and verified...

  10. Preparation of InSe Thin Films by Thermal Evaporation Method and Their Characterization: Structural, Optical, and Thermoelectrical Properties

    Directory of Open Access Journals (Sweden)

    Sarita Boolchandani

    2018-01-01

    Full Text Available The indium selenium (InSe bilayer thin films of various thickness ratios, InxSe(1-x (x = 0.25, 0.50, 0.75, were deposited on a glass substrate keeping overall the same thickness of 2500 Ǻ using thermal evaporation method under high vacuum atmosphere. Electrical, optical, and structural properties of these bilayer thin films have been compared before and after thermal annealing at different temperatures. The structural and morphological characterization was done using XRD and SEM, respectively. The optical bandgap of these thin films has been calculated by Tauc’s relation that varies within the range of 1.99 to 2.05 eV. A simple low-cost thermoelectrical power measurement setup is designed which can measure the Seebeck coefficient “S” in the vacuum with temperature variation. The setup temperature variation is up to 70°C. This setup contains a Peltier device TEC1-12715 which is kept between two copper plates that act as a reference metal. Also, in the present work, the thermoelectric power of indium selenide (InSe and aluminum selenide (AlSe bilayer thin films prepared and annealed in the same way is calculated. The thermoelectric power has been measured by estimating the Seebeck coefficient for InSe and AlSe bilayer thin films. It was observed that the Seebeck coefficient is negative for InSe and AlSe thin films.

  11. A design approach for integrating thermoelectric devices using topology optimization

    International Nuclear Information System (INIS)

    Soprani, S.; Haertel, J.H.K.; Lazarov, B.S.; Sigmund, O.; Engelbrecht, K.

    2016-01-01

    Highlights: • The integration of a thermoelectric (TE) cooler into a robotic tool is optimized. • Topology optimization is suggested as design tool for TE integrated systems. • A 3D optimization technique using temperature dependent TE properties is presented. • The sensitivity of the optimization process to the boundary conditions is studied. • A working prototype is constructed and compared to the model results. - Abstract: Efficient operation of thermoelectric devices strongly relies on the thermal integration into the energy conversion system in which they operate. Effective thermal integration reduces the temperature differences between the thermoelectric module and its thermal reservoirs, allowing the system to operate more efficiently. This work proposes and experimentally demonstrates a topology optimization approach as a design tool for efficient integration of thermoelectric modules into systems with specific design constraints. The approach allows thermal layout optimization of thermoelectric systems for different operating conditions and objective functions, such as temperature span, efficiency, and power recovery rate. As a specific application, the integration of a thermoelectric cooler into the electronics section of a downhole oil well intervention tool is investigated, with the objective of minimizing the temperature of the cooled electronics. Several challenges are addressed: ensuring effective heat transfer from the load, minimizing the thermal resistances within the integrated system, maximizing the thermal protection of the cooled zone, and enhancing the conduction of the rejected heat to the oil well. The design method incorporates temperature dependent properties of the thermoelectric device and other materials. The 3D topology optimization model developed in this work was used to design a thermoelectric system, complete with insulation and heat sink, that was produced and tested. Good agreement between experimental results and

  12. BiCuSeO Thermoelectrics: An Update on Recent Progress and Perspective

    Directory of Open Access Journals (Sweden)

    Xiaoxuan Zhang

    2017-02-01

    Full Text Available A BiCuSeO system has been reported as a promising thermoelectric material and has attracted great attention in the thermoelectric community since 2010. Recently, several remarkable studies have been reported and the ZT of BiCuSeO was pushed to a higher level. It motivates us to systematically summarize the recent reports on the BiCuSeO system. In this short review, we start with several attempts to optimize thermoelectric properties of BiCuSeO. Then, we introduce several opinions to explore the origins of low thermal conductivity for BiCuSeO. Several approaches to enhance thermoelectric performance are also summarized, including modulation doping, introducing dual-vacancies, and dual-doping, etc. At last, we propose some possible strategies for enhancing thermoelectric performance of BiCuSeO in future research.

  13. Electrical properties and figures of merit for new chalcogenide-based thermoelectric materials

    Energy Technology Data Exchange (ETDEWEB)

    Schindler, J L; Hogan, T P; Brazis, P W; Kannewurf, C R; Chung, D Y; Kanatzidis, M G

    1997-07-01

    New Bi-based chalcogenide compounds have been prepared using the polychalcogenide flux technique for crystal growth. These materials exhibit characteristics of good thermoelectric materials. Single crystals of the compound CsBi{sub 4}Te{sub 6} have shown conductivity as high as 2440 S/cm with a p-type thermoelectric power of {approx}+110 {micro}V/K at room temperature. A second compound, {beta}-K{sub 2}Bi{sub 8}Se{sub 13} shows lower conductivity {approx}240 S/cm, but a larger n-type thermopower {approx}{minus}200 {micro}V/K. Thermal transport measurements have been performed on hot-pressed pellets of these materials and the results show comparable or lower thermal conductivities than Bi{sub 2}Te{sub 3}. This improvement may reflect the reduced lattice symmetry of the new chalcogenide thermoelectrics. The thermoelectric figure of merit for CsBi{sub 4}Te{sub 6} reaches ZT {approx} 0.32 at 260 K and for {beta}-K{sub 2}Bi{sub 8}Se{sub 13} ZT {approx} 0.32 at room temperature, indicating that these compounds are viable candidates for thermoelectric refrigeration applications.

  14. Large enhancement of thermoelectric effects in a tunneling-coupled parallel DQD-AB ring attached to one normal and one superconducting lead

    Science.gov (United States)

    Yao, Hui; Zhang, Chao; Li, Zhi-Jian; Nie, Yi-Hang; Niu, Peng-bin

    2018-05-01

    We theoretically investigate the thermoelectric properties in a tunneling-coupled parallel DQD-AB ring attached to one normal and one superconducting lead. The role of the intrinsic and extrinsic parameters in improving thermoelectric properties is discussed. The peak value of figure of merit near gap edges increases with the asymmetry parameter decreasing, particularly, when asymmetry parameter is less than 0.5, the figure of merit near gap edges rapidly rises. When the interdot coupling strengh is less than the superconducting gap the thermopower spectrum presents a single-platform structure. While when the interdot coupling strengh is larger than the gap, a double-platform structure appears in thermopower spectrum. Outside the gap the peak values of figure of merit might reach the order of 102. On the basis of optimizing internal parameters the thermoelectric conversion efficiency of the device can be further improved by appropriately matching the total magnetic flux and the flux difference between two subrings.

  15. High performance p-type half-Heusler thermoelectric materials

    Science.gov (United States)

    Yu, Junjie; Xia, Kaiyang; Zhao, Xinbing; Zhu, Tiejun

    2018-03-01

    Half-Heusler compounds, which possess robust mechanical strength, good high temperature thermal stability and multifaceted physical properties, have been verified as a class of promising thermoelectric materials. During the last two decades, great progress has been made in half-Heusler thermoelectrics. In this review, we summarize some representative work of p-type half-Heusler materials, the thermoelectric performance of which has been remarkably enhanced in recent years. We introduce the features of the crystal and electronic structures of half-Heusler compounds, and successful strategies for optimizing electrical and thermal transport in the p-type RFeSb (R  =  V, Nb, Ta) and MCoSb (M  =  Ti, Zr, Hf) based systems, including band engineering, the formation of solid solutions and hierarchical phonon scattering. The outlook for future research directions of half-Heusler thermoelectrics is also presented.

  16. Thermoelectric transport in superlattices

    Energy Technology Data Exchange (ETDEWEB)

    Reinecke, T L; Broido, D A

    1997-07-01

    The thermoelectric transport properties of superlattices have been studied using an exact solution of the Boltzmann equation. The role of heat transport along the barrier layers, of carrier tunneling through the barriers, of valley degeneracy and of the well width and energy dependences of the carrier-phonon scattering rates on the thermoelectric figure of merit are given. Calculations are given for Bi{sub 2}Te{sub 3} and for PbTe, and the results of recent experiments are discussed.

  17. High-temperature resistivity and thermoelectric properties of coupled substituted Ca3Co2O6

    Directory of Open Access Journals (Sweden)

    Meenakshisundaram Senthilkumar and Rajagopalan Vijayaraghavan

    2009-01-01

    Full Text Available Polycrystalline samples of Ca3−xNaxCo2−xMnxO6 (x=0.0–0.5 have been prepared by the sol-gel cum combustion method using sucrose in order to investigate the effects of the coupled substitution of Na and Mn on Ca and Co sites on the transport properties of Ca3Co2O6(Co326. The products were characterized by Fourier transform infrared spectroscopy, powder x-ray diffraction (XRD, thermogravimetry (TGA, differential thermal analysis and scanning electron microscopy. XRD patterns reveal the formation of single-phase products up to x=0.5. Coupled substitution increases the solubility of both Na and Mn on Ca and Co sites, respectively, in contrast to the limited solubility of Na and Mn (x=0.2 when separately substituted. TGA confirms the formation of the Ca3Co2O6 phase at temperatures ~720 °C. The grain size of the parent and substituted products is in the range 150–250 nm. Electrical resistivity and Seebeck coefficient were measured in the temperature range 300–800 K. Resistivity shows semiconducting behavior for all the compositions, particularly in the low-temperature regime. The Seebeck coefficient increases with temperature throughout the measured temperature range for all compositions. The maximum Seebeck coefficient (200 μV K−1 is observed for x=0.5 at 825 K, and this composition may be optimal for high-temperature thermoelectric applications.

  18. Exploring the thermoelectric and magnetic properties of uranium selenides: Tl2Ag2USe4 and Tl3Cu4USe6

    International Nuclear Information System (INIS)

    Azam, Sikander; Khan, Saleem Ayaz; Din, Haleem Ud; Khenata, Rabah; Goumri-Said, Souraya

    2016-01-01

    The electronic, magnetic and thermoelectric properties of Tl 2 Ag 2 USe 4 and Tl 3 Cu 4 USe 6 compounds were investigated using the full potential linear augmented plane wave (FP-LAPW) method based on the density functional theory (DFT). The exchange correlation was treated with the generalized gradient approximation plus optimized effective Hubbard parameter and spin–orbit coupling (GGA+U+SOC). The present uranium selenides show narrow direct energy band gap values of 0.7 and 0.875 eV for Tl 2 Ag 2 USe 4 and Tl 3 Cu 4 USe 6 respectively. For both selenides U-d/f states are responsible for electrical transport properties. Uranium atoms were the most contributors in the magnetic moment compared to other atoms and show ferromagnetic nature. The spin density isosurfaces show the polarization of neighboring atoms of Uranium, such as silver/copper and selenium. Thermoelectric calculations reveal that Tl 3 Cu 4 USe 6 is more suitable for thermoelectric device applications than Tl 2 Ag 2 USe 4 . - Highlights: • Electronic, magnetic and thermoelectric properties of uranium selenides are investigated with DFT. • They show a narrow direct energy band gap of 0.7 and 0.875 eV. • U-d/f states are responsible for electrical transport properties. • Tl 3 Cu 4 USe 6 is more suitable for thermoelectric device applications than Tl 2 Ag 2 USe 4 .

  19. Thermoelectric Properties of Solution-Processed n-Doped Ladder-Type Conducting Polymers

    DEFF Research Database (Denmark)

    Wang, Suhao; Sun, Hengda; Ail, Ujwala

    2016-01-01

    Ladder-type "torsion-free" conducting polymers (e.g., polybenzimidazobenzophenanthroline (BBL)) can outperform "structurally distorted" donor-acceptor polymers (e.g., P(NDI2OD-T2)), in terms of conductivity and thermoelectric power factor. The polaron delocalization length is larger in BBL than...... in P(NDI2OD-T2), resulting in a higher measured polaron mobility. Structure-function relationships are drawn, setting material-design guidelines for the next generation of conducting thermoelectric polymers....

  20. Tunable thermoelectricity in monolayers of MoS2 and other group-VI dichalcogenides

    KAUST Repository

    Tahir, M

    2014-10-31

    We study the thermoelectric properties of monolayers of MoS2 and other group-VI dichalcogenides under circularly polarized off-resonant light. Analytical expressions are derived for the Berry phase mediated magnetic moment, orbital magnetization, as well as thermal and Nernst conductivities. Tuning of the band gap by off-resonant light enhances the spin splitting in both the valence and conduction bands and, thus, leads to a dramatic improvement of the spin and valley thermoelectric properties.

  1. Tunable thermoelectricity in monolayers of MoS2 and other group-VI dichalcogenides

    KAUST Repository

    Tahir, M; Schwingenschlö gl, Udo

    2014-01-01

    We study the thermoelectric properties of monolayers of MoS2 and other group-VI dichalcogenides under circularly polarized off-resonant light. Analytical expressions are derived for the Berry phase mediated magnetic moment, orbital magnetization, as well as thermal and Nernst conductivities. Tuning of the band gap by off-resonant light enhances the spin splitting in both the valence and conduction bands and, thus, leads to a dramatic improvement of the spin and valley thermoelectric properties.

  2. Thermoelectricity Generation and Electron-Magnon Scattering in a Natural Chalcopyrite Mineral from a Deep-Sea Hydrothermal Vent.

    Science.gov (United States)

    Ang, Ran; Khan, Atta Ullah; Tsujii, Naohito; Takai, Ken; Nakamura, Ryuhei; Mori, Takao

    2015-10-26

    Current high-performance thermoelectric materials require elaborate doping and synthesis procedures, particularly in regard to the artificial structure, and the underlying thermoelectric mechanisms are still poorly understood. Here, we report that a natural chalcopyrite mineral, Cu1+x Fe1-x S2 , obtained from a deep-sea hydrothermal vent can directly generate thermoelectricity. The resistivity displayed an excellent semiconducting character, and a large thermoelectric power and high power factor were found in the low x region. Notably, electron-magnon scattering and a large effective mass was detected in this region, thus suggesting that the strong coupling of doped carriers and antiferromagnetic spins resulted in the natural enhancement of thermoelectric properties during mineralization reactions. The present findings demonstrate the feasibility of thermoelectric energy generation and electron/hole carrier modulation with natural materials that are abundant in the Earth's crust. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Temperature-dependent thermal and thermoelectric properties of n -type and p -type S c1 -xM gxN

    Science.gov (United States)

    Saha, Bivas; Perez-Taborda, Jaime Andres; Bahk, Je-Hyeong; Koh, Yee Rui; Shakouri, Ali; Martin-Gonzalez, Marisol; Sands, Timothy D.

    2018-02-01

    Scandium Nitride (ScN) is an emerging rocksalt semiconductor with octahedral coordination and an indirect bandgap. ScN has attracted significant attention in recent years for its potential thermoelectric applications, as a component material in epitaxial metal/semiconductor superlattices, and as a substrate for defect-free GaN growth. Sputter-deposited ScN thin films are highly degenerate n -type semiconductors and exhibit a large thermoelectric power factor of ˜3.5 ×10-3W /m -K2 at 600-800 K. Since practical thermoelectric devices require both n- and p-type materials with high thermoelectric figures-of-merit, development and demonstration of highly efficient p-type ScN is extremely important. Recently, the authors have demonstrated p-type S c1 -xM gxN thin film alloys with low M gxNy mole-fractions within the ScN matrix. In this article, we demonstrate temperature dependent thermal and thermoelectric transport properties, including large thermoelectric power factors in both n- and p-type S c1 -xM gxN thin film alloys at high temperatures (up to 850 K). Employing a combination of temperature-dependent Seebeck coefficient, electrical conductivity, and thermal conductivity measurements, as well as detailed Boltzmann transport-based modeling analyses of the transport properties, we demonstrate that p-type S c1 -xM gxN thin film alloys exhibit a maximum thermoelectric power factor of ˜0.8 ×10-3W /m -K2 at 850 K. The thermoelectric properties are tunable by adjusting the M gxNy mole-fraction inside the ScN matrix, thereby shifting the Fermi energy in the alloy films from inside the conduction band in case of undoped n -type ScN to inside the valence band in highly hole-doped p -type S c1 -xM gxN thin film alloys. The thermal conductivities of both the n- and p-type films were found to be undesirably large for thermoelectric applications. Thus, future work should address strategies to reduce the thermal conductivity of S c1 -xM gxN thin-film alloys, without affecting

  4. Impurity band effects on transport and thermoelectric properties of Fe2 -xNixVAl

    Science.gov (United States)

    Knapp, I.; Budinska, B.; Milosavljevic, D.; Heinrich, P.; Khmelevskyi, S.; Moser, R.; Podloucky, R.; Prenninger, P.; Bauer, E.

    2017-07-01

    Full Heusler alloys of the series Fe2 -xNixVAl ,0 ≤x ≤0.2 , were prepared and characterized, and their physical properties, relevant to the thermoelectric performance of such materials, were studied in a wide temperature range. The starting material Fe2VAl is characterized by a pseudogap of the electronic density of states near the Fermi energy, with a gap width of the order of 1 eV. Density functional theory calculations were performed by application of two approaches. In the framework of the local-spin-density approximation and coherent potential approximation, the electronic densities of states of substitutional alloys were calculated, revealing that with increasing Ni content the Fermi energy moves toward the conduction band, and consequently, the nature of electronic transport changes from p type to n type. It appears that Ni, due to its extra electrons, provides a narrow impurity band near the Fermi level. These states can be made responsible for the experimentally observed evolution of transport properties. Furthermore, the Vienna ab initio Simulation package (vasp) was utilized for deriving electronic, structural, and vibrational properties of ordered Fe2VAl and Fe1.75Ni0.25VAl . In particular, it is found that due to Ni substitution there is a general shift to lower phonon frequencies by about 2 THz as compared to the undoped case. Associated to these modifications, the electrical resistivity, ρ (T ) , changes from a semiconducting-like behavior to a nonsimple metallic behavior, while the Seebeck coefficient reaches values of the order of -80 μ V /K around room temperature for the sample x =0.2 . The increase of the Ni content, in addition, goes along with a substantial reduction of the lattice part of the thermal conductivity. This change is analyzed in detail in terms of a disorder parameter Γ , characterizing the derangement of the crystalline lattice due to the substitution of Fe by Ni. Ab initio calculations of the phonon dynamics carried out

  5. Thermoelectric Materials

    Science.gov (United States)

    Gao, Peng; Berkun, Isil; Schmidt, Robert D.; Luzenski, Matthew F.; Lu, Xu; Bordon Sarac, Patricia; Case, Eldon D.; Hogan, Timothy P.

    2014-06-01

    Mg2(Si,Sn) compounds are promising candidate low-cost, lightweight, nontoxic thermoelectric materials made from abundant elements and are suited for power generation applications in the intermediate temperature range of 600 K to 800 K. Knowledge on the transport and mechanical properties of Mg2(Si,Sn) compounds is essential to the design of Mg2(Si,Sn)-based thermoelectric devices. In this work, such materials were synthesized using the molten-salt sealing method and were powder processed, followed by pulsed electric sintering densification. A set of Mg2.08Si0.4- x Sn0.6Sb x (0 ≤ x ≤ 0.072) compounds were investigated, and a peak ZT of 1.50 was obtained at 716 K in Mg2.08Si0.364Sn0.6Sb0.036. The high ZT is attributed to a high electrical conductivity in these samples, possibly caused by a magnesium deficiency in the final product. The mechanical response of the material to stresses is a function of the elastic moduli. The temperature-dependent Young's modulus, shear modulus, bulk modulus, Poisson's ratio, acoustic wave speeds, and acoustic Debye temperature of the undoped Mg2(Si,Sn) compounds were measured using resonant ultrasound spectroscopy from 295 K to 603 K. In addition, the hardness and fracture toughness were measured at room temperature.

  6. Effect of high-temperature annealing on the microstructure and thermoelectric properties of GaP doped SiGe. M.S. Thesis

    Science.gov (United States)

    Draper, Susan L.

    1987-01-01

    Annealing of GaP doped SiGe will significantly alter the thermoelectric properties of the material resulting in increased performance as measured by the figure of merit Z and the power factor P. The microstructures and corresponding thermoelectric properties after annealing in the 1100 to 1300 C temperature range have been examined to correlate performance improvement with annealing history. The figure of merit and power factor were both improved by homogenizing the material and limiting the amount of cross-doping. Annealing at 1215 C for 100 hr resulted in the best combination of thermoelectric properties with a resultant figure of merit exceeding 1x10 to the -3 deg C to the -1 and a power factor of 44 microW/cm/deg C sq for the temperature range of interest for space power: 400 to 1000 C.

  7. Influence of nanosized inclusions on the room temperature thermoelectrical properties of a p-type bismuth–tellurium–antimony alloy

    International Nuclear Information System (INIS)

    Bernard-Granger, Guillaume; Addad, Ahmed; Navone, Christelle; Soulier, Mathieu; Simon, Julia; Szkutnik, Pierre-David

    2012-01-01

    Transmission electron microscopy observations and thermoelectrical property measurements (electrical conductivity, Seebeck coefficient and thermal conductivity) at room temperature have been completed on two fully dense polycrystalline p-type bismuth–tellurium–antimony alloy samples. It is shown that the presence of antimony oxide-based nanosized inclusions (controlled as to volume fraction and size distribution), homogeneously dispersed in the surrounding matrix leads to a dimensionless figure of merit (ZT) of ∼1.3 at room temperature. For comparison, when such inclusions are missing the ZT value is only 0.6.

  8. The enhancement of thermoelectric power and scattering of carriers in Bi{sub 2{minus}x}Sn{sub x}Te{sub 3} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kulbachinskii, V A; Negishi, H; Sasaki, M; Giman, Y; Inoue, M

    1997-07-01

    Thermoelectric power, electrical resistivity, and Hall effect of p-type Bi{sub 2{minus}x}Sn{sub x}Te{sub 3} (0 < x < 0.03) singlecrystals have been measured in the temperature range 4.2--300K. By doping of Sn atoms into the host Bi{sub 2}Te{sub 3} lattice, the enhancement in the thermoelectric power is observed in the intermediate temperature range 30--150K for x {le} 0,0075. The activation type behavior of Hall coefficient and resistivity are found which corresponds to the Sn-induced impurity band located above the second lower valence band.

  9. Thermoelectric transport properties of polycrystalline titanium diselenide co-intercalated with nickel and titanium using spark plasma sintering

    Energy Technology Data Exchange (ETDEWEB)

    Holgate, T.C. [Department of Energy Storage and Conversion, Technical University of Denmark, Riso Campus, 4000 Roskilde (Denmark); Zhu, S.; Zhou, M. [Department of Physics and Astronomy, Clemson University, Clemson, SC 29634 (United States); Bangarigadu-Sanasy, S.; Kleinke, H. [Department of Chemistry, University of Waterloo, Waterloo, Ontario, N2L 3G1 (Canada); He, J. [Department of Physics and Astronomy, Clemson University, Clemson, SC 29634 (United States); Tritt, T.M., E-mail: ttritt@clemson.edu [Department of Physics and Astronomy, Clemson University, Clemson, SC 29634 (United States)

    2013-01-15

    Polycrystalline samples of nickel intercalated (0-5%) TiSe{sub 2} were attempted via solid-state reaction in evacuated quartz tubes followed by densification using a spark plasma sintering process. X-ray diffraction data indicated that mixed NiSe{sub 2} and TiSe{sub 2} phases were present after initial synthesis by solid-state reaction, but a pure TiSe{sub 2} phase was present after the spark plasma sintering. While EPMA data reveals the stoichiometry to be near 1:1.8 (Ti:Se) for all samples, comparisons of the measured bulk densities to the theoretical densities suggest that the off stoichiometry is a result of the co-intercalation of both Ni and Ti rather than Se vacancies. Due to the presence of excess Ti (0.085-0.130 per formula) in the van der Waals gap of all the samples, the sensitive electron-hole balance is offset by the additional Ti-3d electrons, leading to an increase in the thermopower (n-type) over pristine, stoichiometric TiSe{sub 2}. The effects of the co-intercalation of both Ni and Ti in TiSe{sub 2} on the structural, thermal, and electrical properties are discussed herein. - Graphical abstract: Co-intercalation of nickel and excess titanium into the van der Waals gap of TiSe{sub 2} via solid state synthesis followed by spark plasma sintering results in a systematic shift in the ratio of hole and electron carrier concentration, which is close to unity for pristine TiSe{sub 2}. This directly affects the electrical transport properties, and as the structural disorder induced by intercalation suppresses the lattice thermal conductivity, co-intercalation is an effective route to enhance the thermoelectric properties of transition metal diselenides. Highlights: Black-Right-Pointing-Pointer Single phase bulk Ni and Ti co-intercalated TiSe{sub 2} samples prepared by spark plasma sintering. Black-Right-Pointing-Pointer Density and X-ray diffraction suggest that the Ni and excess Ti are ordered in the Van der Waals gap. Black-Right-Pointing-Pointer Co

  10. Discussion on the electrical and thermoelectrical properties of amorphous In-Sb-Te Films

    Energy Technology Data Exchange (ETDEWEB)

    Aly, K.A. [University of Jeddah, Physics Department, Faculty of Science and Arts, Khulais, Jeddah (Saudi Arabia); Al-Azhar University, Assiut Branch, Physics Department, Faculty of Science, Asyut (Egypt); Saddeek, Y. [Al-Azhar University, Assiut Branch, Physics Department, Faculty of Science, Asyut (Egypt); Dahshan, A. [Port Said University, Department of Physics, Faculty of Science, Port Said (Egypt); King Khalid University, Department of Physics, Faculty of Science for Girls, Abha (Saudi Arabia)

    2016-03-15

    Different compositions of (In{sub 0.5}Sb{sub 0.5}){sub 1-x}Te{sub x} (0.50 ≤ x ≤ 0.65) thin films were prepared by thermal evaporated technique, onto pre-cleaned glass substrates at ∝298 K. Both dark electrical resistivity (ρ) and thermoelectric power (S) were measured in the temperature range 300-420 K. The concentration of the free carriers is obtained from DC conductivity and thermoelectric power measurements. Seebeck coefficient was found to be positive over entire temperature range, indicating that (In{sub 0.5}Sb{sub 0.5}){sub 1-x}Te{sub x} films are p-type semiconducting materials. Also, the variation of the mobility with temperature has been estimated. Increasing tellurium concentration is found to affect the DC conductivity and thermoelectric power of the studied films. The activation energies obtained from the DC conductivity and thermoelectric power increase with increasing tellurium content. The obtained results were interpreted according to the chemical bond approach. (orig.)

  11. Numerical Modeling of Thermoelectric Generators with Varing Material Properties in a Circuit Simulator

    DEFF Research Database (Denmark)

    Chen, Min; Rosendahl, Lasse; Condra, Thomas

    2009-01-01

    When a thermoelectric generator (TEG) and its external load circuitry are considered together as a system, the codesign and cooptimization of the electronics and the device are crucial in maximizing the system efficiency. In this paper, an accurate TEG model is proposed and implemented in a SPICE...

  12. Tuning the Transport Properties of Layered Materials for Thermoelectric Applications using First-Principles Calculations

    KAUST Repository

    Saeed, Yasir

    2014-01-01

    opening and reduction of the lattice thermal conductivity. Bi2Se3 (bulk and thin film) has a larger bandgap then the well-known thermoelectric material Bi2Te3, which is important at high temperature. The structural stability, electronic structure

  13. Orientation control and thermoelectric properties of FeSb2 films

    DEFF Research Database (Denmark)

    Sun, Ye; Zhang, Eryun; Johnsen, Simon

    2010-01-01

    FeSb2 has a high potential for technological applications due to its colossal thermoelectric power, giant carrier mobility and large magnetoresistance. Earlier, growth of lang1 0 1rang-textured FeSb2 films on quartz (0 0 0 1) substrates has been reported. Here magnetron sputtering is used to obtain...

  14. Thermoelectric properties of epitaxial ScN films deposited by reactive magnetron sputtering onto MgO(001) substrates

    Science.gov (United States)

    Burmistrova, Polina V.; Maassen, Jesse; Favaloro, Tela; Saha, Bivas; Salamat, Shuaib; Rui Koh, Yee; Lundstrom, Mark S.; Shakouri, Ali; Sands, Timothy D.

    2013-04-01

    Epitaxial ScN(001) thin films were grown on MgO(001) substrates by dc reactive magnetron sputtering. The deposition was performed in an Ar/N2 atmosphere at 2 × 10-3 Torr at a substrate temperature of 850 °C in a high vacuum chamber with a base pressure of 10-8 Torr. In spite of oxygen contamination of 1.6 ± 1 at. %, the electrical resistivity, electron mobility, and carrier concentration obtained from a typical film grown under these conditions by room temperature Hall measurements are 0.22 mΩ cm, 106 cm2 V-1 s-1, and 2.5 × 1020 cm-3, respectively. These films exhibit remarkable thermoelectric power factors of 3.3-3.5 × 10-3 W/mK2 in the temperature range of 600 K to 840 K. The cross-plane thermal conductivity is 8.3 W/mK at 800 K yielding an estimated ZT of 0.3. Theoretical modeling of the thermoelectric properties of ScN calculated using a mean-free-path of 23 nm at 300 K is in very good agreement with the experiment. These results also demonstrate that further optimization of the power factor of ScN is possible. First-principles density functional theory combined with the site occupancy disorder technique was used to investigate the effect of oxygen contamination on the electronic structure and thermoelectric properties of ScN. The computational results suggest that oxygen atoms in ScN mix uniformly on the N site forming a homogeneous solid solution alloy. Behaving as an n-type donor, oxygen causes a shift of the Fermi level in ScN into the conduction band without altering the band structure and the density of states.

  15. Acido-basic control of the thermoelectric properties of poly(3,4-ethylenedioxythiophene)tosylate (PEDOT-Tos) thin films

    DEFF Research Database (Denmark)

    Khan, Zia Ullah; Bubnova, Olga; Jafari, Mohammad Javad

    2015-01-01

    study the variation in the thermoelectric properties by a simple acido-basic treatment. The emphasis of this study is to elucidate the chemical changes induced by acid (HCl) or base (NaOH) treatment in PEDOT-Tos thin films using various spectroscopic and structural techniques. We could identify changes...... in the nanoscale morphology due to anion exchange between tosylate and Cl- or OH-. But, we identified that changing the pH leads to a tuning of the oxidation level of the polymer, which can explain the changes in thermoelectric properties. Hence, a simple acid-base treatment allows finding the optimum...

  16. Improvement of thermoelectric properties induced by uniquely ordered lattice field in Bi2Se0.5Te2.5 pillar array

    International Nuclear Information System (INIS)

    Tan, Ming; Hao, Yanming; Wang, Gangzhi

    2014-01-01

    In this study, it was found that uniquely ordered lattice field favors transport of carriers but hinder that of phonons. The n-Bi 2 Se 0.5 Te 2.5 pillar array film was successfully achieved by a simple ion beam assisted deposition technique. This oriented pillar array structure is clear with pillar diameter of about 30 nm, exhibiting a uniquely ordered lattice field. The properties of the ordered Bi 2 Se 0.5 Te 2.5 pillar array were greatly enhanced in comparison with those of the ordinary film. The Bi 2 Se 0.5 Te 2.5 pillar array with a thermoelectric dimensionless figure-of-merit ZT=1.28 was obtained at room temperature. The in-plane transport mechanisms of the ordered pillar array and the ordinary structures, lattice field model, are proposed and investigated. The specially ordered lattice field is the main reason for the properties enhancement observed in the Bi 2 Se 0.5 Te 2.5 film. Introduction of such ordered lattice field into TE films is therefore a very promising approach. - Graphical abstract: In this study, it was found that uniquely ordered lattice field favors transport of carriers but hinder that of phonons. The Bi 2 Se 0.5 Te 2.5 pillar array film with a thermoelectric dimensionless figure-of-merit ZT=1.28 was obtained at room temperature. The in-plane transport mechanisms of the ordered pillar array and the ordinary structures, the lattice field model, are proposed and investigated. The specially ordered lattice field is the main reason for the properties enhancement observed in the Bi 2 Se 0.5 Te 2.5 pillar array. Introduction of such uniquely ordered lattice field into TE films is therefore a very promising approach. In (a) TEM and (b) HRTEM images of the ordered Bi 2 Se 0.5 Te 2.5 column array. - Highlights: • Uniquely ordered Bi 2 Se 0.5 Te 2.5 pillar array was achieved by an IBAD method. • The pillar array with an ordered lattice field exhibits attractive TE property. • The transport mechanism of such ordered pillar array is proposed and

  17. In situ chemical oxidative polymerization preparation of poly(3,4-ethylenedioxythiophene)/graphene nanocomposites with enhanced thermoelectric performance.

    Science.gov (United States)

    Xu, Kongli; Chen, Guangming; Qiu, Dong

    2015-05-01

    Three different in situ chemical oxidative polymerization routes, that is, (A) spin-coating and subsequent liquid layer polymerization, (B) spin-coating followed by vapor phase polymerization, and (C) in situ polymerization and then post-treatment by immersion in ethylene glycol (EG), have been developed to achieve poly(3,4-ethylenedioxythiophene)/reduced graphene oxide (PEDOT/rGO) nanocomposites. As demonstrated by scanning electron microscopic and energy-dispersive X-ray spectroscopic techniques, PEDOT has been successfully coated on the surface of the rGO nanosheets by each of the three preparation routes. Importantly, all of the nanocomposites display a greatly enhanced thermoelectric performance (power factors) relative to those of the corresponding neat PEDOT. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Microstructure and thermoelectric properties of screen-printed thick-films of misfit-layered cobalt oxides with Ag addition

    DEFF Research Database (Denmark)

    Van Nong, Ngo; Samson, Alfred Junio; Pryds, Nini

    2012-01-01

    Thermoelectric properties of thick (~60 μm) films prepared by a screen-printing technique using p-type misfit-layered cobalt oxide Ca3Co4O9+δ with Ag addition have been studied. The screen-printed films were sintered in air at various temperatures ranging from 973 K to 1223 K. After each sintering...... process, crystal and microstructure analyses were carried out to determine the optimal sintering condition. The results show that the thermoelectric properties of pure Ca3Co4O9+δ thick film are comparable to those of cold isostatic pressing (CIP) samples. We found that the maximum power factor...... was improved by about 67% (to 0.3 mW/m K2) for film with proper silver (Ag) metallic inclusions as compared with 0.18 mW/m K2 for pure Ca3Co4O9+δ film under the same sintering condition of 1223 K for 2 h in air....

  19. Effects of (Al,Ge) double doping on the thermoelectric properties of higher manganese silicides

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Xi; Salta, Daniel; Zhang, Libin [Materials Science and Engineering Program, Texas Materials Institute, The University of Texas at Austin, Austin, Texas 78712 (United States); Weathers, Annie [Department of Mechanical Engineering, The University of Texas at Austin, Austin, Texas 78712 (United States); Zhou, Jianshi; Goodenough, John B.; Shi, Li [Materials Science and Engineering Program, Texas Materials Institute, The University of Texas at Austin, Austin, Texas 78712 (United States); Department of Mechanical Engineering, The University of Texas at Austin, Austin, Texas 78712 (United States)

    2013-11-07

    Experiments and analysis have been carried out to investigate the effects of Al and (Al,Ge) doping on the microstructure and thermoelectric properties of polycrystalline higher manganese silicide (HMS) samples, which were prepared by solid-state reaction, ball milling, and followed by spark plasma sintering. It has been found that Al doping effectively increases the hole concentration, which leads to an increase in the electrical conductivity and power factor. By introducing the second dopant Ge into Al-doped HMS, the electrical conductivity is increased, and the Seebeck coefficient is decreased as a result of further increased hole concentration. The peak power factor is found to occur at a hole concentration between 1.8 × 10{sup 21} and 2.2 × 10{sup 21} cm{sup −3} measured at room temperature. The (Al,Ge)-doped HMS samples show lower power factors owing to their higher hole concentrations. The mobility of Mn(Al{sub 0.0035}Ge{sub y}Si{sub 0.9965-y}){sub 1.8} with y = 0.035 varies approximately as T{sup −3/2} above 200 K, suggesting acoustic phonon scattering is the dominant scattering mechanism. The thermal conductivity of HMS does not change appreciably by Al or (Al,Ge) doping. The maximum ZT of (Al,Ge)-doped HMS is 0.57 at 823 K, which is similar to the highest value found in the Al-doped HMS samples. The ZT values were reduced in the Mn(Al{sub 0.0035}Ge{sub y}Si{sub 0.9965-y}){sub 1.8} samples with high Ge concentration of y = 0.025 and 0.035, because of reduced power factor. In addition, a two-band model was employed to show that the hole contribution to the thermal conductivity dominates the bipolar and electron contributions for all samples from 300 to 823 K and accounts for about 12% of the total thermal conductivity at about 800 K.

  20. Effects of (Al,Ge) double doping on the thermoelectric properties of higher manganese silicides

    International Nuclear Information System (INIS)

    Chen, Xi; Salta, Daniel; Zhang, Libin; Weathers, Annie; Zhou, Jianshi; Goodenough, John B.; Shi, Li

    2013-01-01

    Experiments and analysis have been carried out to investigate the effects of Al and (Al,Ge) doping on the microstructure and thermoelectric properties of polycrystalline higher manganese silicide (HMS) samples, which were prepared by solid-state reaction, ball milling, and followed by spark plasma sintering. It has been found that Al doping effectively increases the hole concentration, which leads to an increase in the electrical conductivity and power factor. By introducing the second dopant Ge into Al-doped HMS, the electrical conductivity is increased, and the Seebeck coefficient is decreased as a result of further increased hole concentration. The peak power factor is found to occur at a hole concentration between 1.8 × 10 21 and 2.2 × 10 21  cm −3 measured at room temperature. The (Al,Ge)-doped HMS samples show lower power factors owing to their higher hole concentrations. The mobility of Mn(Al 0.0035 Ge y Si 0.9965-y ) 1.8 with y = 0.035 varies approximately as T −3/2 above 200 K, suggesting acoustic phonon scattering is the dominant scattering mechanism. The thermal conductivity of HMS does not change appreciably by Al or (Al,Ge) doping. The maximum ZT of (Al,Ge)-doped HMS is 0.57 at 823 K, which is similar to the highest value found in the Al-doped HMS samples. The ZT values were reduced in the Mn(Al 0.0035 Ge y Si 0.9965-y ) 1.8 samples with high Ge concentration of y = 0.025 and 0.035, because of reduced power factor. In addition, a two-band model was employed to show that the hole contribution to the thermal conductivity dominates the bipolar and electron contributions for all samples from 300 to 823 K and accounts for about 12% of the total thermal conductivity at about 800 K

  1. Enhancing Thermoelectric Performances of Bismuth Antimony Telluride via Synergistic Combination of Multiscale Structuring and Band Alignment by FeTe2 Incorporation.

    Science.gov (United States)

    Shin, Weon Ho; Roh, Jong Wook; Ryu, Byungki; Chang, Hye Jung; Kim, Hyun Sik; Lee, Soonil; Seo, Won Seon; Ahn, Kyunghan

    2018-01-31

    It has been a difficulty to form well-distributed nano- and mesosized inclusions in a Bi 2 Te 3 -based matrix and thereby realizing no degradation of carrier mobility at interfaces between matrix and inclusions for high thermoelectric performances. Herein, we successfully synthesize multistructured thermoelectric Bi 0.4 Sb 1.6 Te 3 materials with Fe-rich nanoprecipitates and sub-micron FeTe 2 inclusions by a conventional solid-state reaction followed by melt-spinning and spark plasma sintering that could be a facile preparation method for scale-up production. This study presents a bismuth antimony telluride based thermoelectric material with a multiscale structure whose lattice thermal conductivity is drastically reduced with minimal degradation on its carrier mobility. This is possible because a carefully chosen FeTe 2 incorporated in the matrix allows its interfacial valence band with the matrix to be aligned, leading to a significantly improved p-type thermoelectric power factor. Consequently, an impressively high thermoelectric figure of merit ZT of 1.52 is achieved at 396 K for p-type Bi 0.4 Sb 1.6 Te 3 -8 mol % FeTe 2 , which is a 43% enhancement in ZT compared to the pristine Bi 0.4 Sb 1.6 Te 3 . This work demonstrates not only the effectiveness of multiscale structuring for lowering lattice thermal conductivities, but also the importance of interfacial band alignment between matrix and inclusions for maintaining high carrier mobilities when designing high-performance thermoelectric materials.

  2. Thermoelectric Properties in the TiO2/SnO2 System

    Science.gov (United States)

    Dynys, F.; Sayir, A.; Sehirlioglu, A.; Berger, M.

    2009-01-01

    Nanotechnology has provided a new interest in thermoelectric technology. A thermodynamically driven process is one approach in achieving nanostructures in bulk materials. TiO2/SnO2 system exhibits a large spinodal region with exceptional stable phase separated microstructures up to 1400 C. Fabricated TiO2/SnO2 nanocomposites exhibit n-type behavior with Seebeck coefficients greater than -300 .V/K. Composites exhibit good thermal conductance in the range of 7 to 1 W/mK. Dopant additions have not achieved high electrical conductivity (<1000 S/m). Formation of oxygen deficient composites, TixSn1-xO2-y, can change the electrical conductivity by four orders of magnitude. Achieving higher thermoelectric ZT by oxygen deficiency is being explored. Seebeck coeffcient, thermal conductivity, electrical conductance and microstructure will be discussed in relation to composition and doping.

  3. Isovalent substitutes play in different ways: Effects of isovalent substitution on the thermoelectric properties of CoSi{sub 0.98}B{sub 0.02}

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Hui, E-mail: huisun3@iflytek.com [Department of Basic Teaching, Anhui Institute of Information Technology, Wuhu, Anhui 241000 (China); Lu, Xu [College of Physics, Chongqing University, Chongqing 401331 (China); Morelli, Donald T. [Department of Chemical Engineering and Materials Science, Michigan State University, East Lansing, Michigan 48824 (United States)

    2016-07-21

    Boron-added CoSi, CoSi{sub 0.98}B{sub 0.02}, possesses a very high thermoelectric power factor of 60 μW cm{sup −1} K{sup −2} at room temperature, which is among the highest power factors that have ever been reported for near-room-temperature thermoelectric applications. Since the electrical properties of this material have been tuned properly, isovalent substitution for its host atoms is intentionally employed to reduce the lattice thermal conductivity while maintaining the electronic properties unchanged. In our previous work, the effect of Rh substitution for Co atoms on the thermoelectric properties of CoSi{sub 0.98}B{sub 0.02} has been studied. Here, we present a study of the substitution of Ge for Si atoms in this compound. Even though Ge and Rh are isovalent with their corresponding host atoms, they play different roles in determining the electrical and thermal transport properties. Through the evaluation of the lattice thermal conductivity by the Debye approximation and the comparison between the high-temperature Seebeck coefficients, we propose that Rh substitution leads to a further overlapping of the conduction and the valence bands, while Ge substitution only shifts the Fermi level upward into the conduction band. Our results show that the influence of isovalent substitution on the electronic structure cannot be ignored when the alloying method is used to improve thermoelectric properties.

  4. Isovalent substitutes play in different ways: Effects of isovalent substitution on the thermoelectric properties of CoSi_0_._9_8B_0_._0_2

    International Nuclear Information System (INIS)

    Sun, Hui; Lu, Xu; Morelli, Donald T.

    2016-01-01

    Boron-added CoSi, CoSi_0_._9_8B_0_._0_2, possesses a very high thermoelectric power factor of 60 μW cm"−"1 K"−"2 at room temperature, which is among the highest power factors that have ever been reported for near-room-temperature thermoelectric applications. Since the electrical properties of this material have been tuned properly, isovalent substitution for its host atoms is intentionally employed to reduce the lattice thermal conductivity while maintaining the electronic properties unchanged. In our previous work, the effect of Rh substitution for Co atoms on the thermoelectric properties of CoSi_0_._9_8B_0_._0_2 has been studied. Here, we present a study of the substitution of Ge for Si atoms in this compound. Even though Ge and Rh are isovalent with their corresponding host atoms, they play different roles in determining the electrical and thermal transport properties. Through the evaluation of the lattice thermal conductivity by the Debye approximation and the comparison between the high-temperature Seebeck coefficients, we propose that Rh substitution leads to a further overlapping of the conduction and the valence bands, while Ge substitution only shifts the Fermi level upward into the conduction band. Our results show that the influence of isovalent substitution on the electronic structure cannot be ignored when the alloying method is used to improve thermoelectric properties.

  5. Thermoelectrical properties of the compounds ScM{sup VIII}Sb and YM{sup VIII}Sb (M{sup VIII} = Ni, Pd, Pt)

    Energy Technology Data Exchange (ETDEWEB)

    Oestreich, J; Probst, U; Richardt, F; Bucher, E [University of Konstanz, PO Box X916, D-78457 Konstanz (Germany)

    2003-02-05

    The research into new materials with good thermoelectric properties has revealed new compounds consisting of metallic elements (Bando Y, Suemitsu T, Takagi K, Tokushima H, Echizen Y, Katoh K, Umeo K, Maeda Y and Takabatake T 2000 J. Alloys Compounds 313 1-6, Ghelani N, Loo S, Chung D, Sportouch S, Nardi S, Kanatzidis M, Hogan T and Nolas G 2000 Mater. Res. Soc. 626 Z8.6.1). The half-Heusler compound ZrNiSn, in particular, shows promising thermoelectric properties and has been studied by many scientists during recent years (Uher C, Hu S, Yang J, Meisner G P and Morelli D T 1997 Proc. ICT'97: 16th Int. Conf. on Thermoelectrics pp 485-8, Romaka L P, Stadnyk Yu V, Goryn A M, Gorelenko Yu K and Skolozdra R V 1997 Proc. ICT'97: 16th Int. Conf. on Thermoelectrics pp 516-19, Hohl H, Ramirez A P, Goldmann C, Ernst G, Woelfing B and Bucher E 1998 J. Phys.: Condens. Matter 11 1697-709, Oestreich J, Kaefer W, Richardt F, Probst U and Bucher E 1999 Proc. 5th European Workshop on Thermoelectrics pp 192-5). In an effort to find new thermoelectric materials, the half-Heusler compounds of the groups ScM{sup VIII}Sb and YM{sup VIII}Sb (M{sup VIII} = Ni, Pd, Pt) were synthesized by arc melting and the thermoelectric properties were examined by standard characterization methods. Doping experiments showed that it is possible to change the electrical properties of the compounds while retaining the half-Heusler structure. Within the two groups, YPtSb showed the best thermoelectrical properties. At a temperature of 400 K the electrical conductivity of YPtSb is 748{omega}{sup -1} cm{sup -1} and the Seebeck coefficient is 116.3{mu}V K{sup -1}. The thermal conductivity at 400 K extrapolated using the Wiedemann-Franz law is 2.87 W K{sup -1} m{sup -1}. This leads to a dimensionless figure of merit of 0.14.

  6. Vacancy site occupation by Co and Ir in half-Heusler ZrNiSn and conversion of the thermoelectric properties from n-type to p-type

    International Nuclear Information System (INIS)

    Kimura, Yoshisato; Tanoguchi, Toshiyasu; Kita, Takuji

    2010-01-01

    The n-type thermoelectric properties of the half-Heusler compound ZrNiSn can be converted to p-type by the addition of Co and Ir. We found that Co and Ir atoms preferably occupy the vacancy sites instead of substituting at Ni sites. This implies that the phase stability of the compound gradually changes towards that of the Heusler compound Zr(Ni,M) 2 Sn, where M is Co and/or Ir. The occupation of vacancy sites by Co and Ir atoms leads to a drastic reduction in lattice thermal conductivity owing to the enhancement of phonon scattering by the solid solution effect.

  7. Thermoelectric Properties of Li-Intercalated ZrSe2 Single Crystals

    DEFF Research Database (Denmark)

    Holgate, Tim; Liu, Yufei; Hitchcock, Dale

    2013-01-01

    Zirconium diselenide (ZrSe2) is one of many members of the layer-structured transition-metal dichalcogenide family. The structure of these materials features a weakly bonded van der Waals gap between covalently bonded CdI2-type atomic layers that may host a wide range of intercalants. Intercalation......, and low cost of such materials, merit further thermoelectric investigations of intercalated zirconium diselenide, especially in conjunction with a substitutional doping approach....

  8. Properties of Thermoelectric Nanocomposite Bi2Te3 Layers Prepared by PLD

    Czech Academy of Sciences Publication Activity Database

    Zeipl, Radek; Jelínek, Miroslav; Kocourek, Tomáš; Remsa, Jan; Vaniš, Jan; Vlček, Milan

    2014-01-01

    Roč. 183, č. 12 (2014), s. 103-109 ISSN 2306-8515 R&D Projects: GA ČR(CZ) GA13-33056S Institutional support: RVO:61389013 ; RVO:68378271 ; RVO:67985882 Keywords : thermoelectric materials * pulsed laser deposition * thin layered Subject RIV: BM - Solid Matter Physics ; Magnetism; BM - Solid Matter Physics ; Magnetism (FZU-D); JA - Electronics ; Optoelectronics, Electrical Engineering (URE-Y) http://www.sensorsportal.com/HTML/DIGEST/P_2549.htm

  9. Effect of spark plasma sintering conditions on the thermoelectric properties of (Bi{sub 0.25}Sb{sub 0.75}){sub 2}Te{sub 3} alloys

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Sang-Soon [Center for Electronic Materials, Korea Institute of Science and Technology, Seoul 136-791 (Korea, Republic of); Department of Materials Science and Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of); Kim, Ju-Heon [High Temp. Energy Materials Research Center, Korea Institute of Science and Technology, Seoul 136-791 (Korea, Republic of); Kwon, Beomjin; Kim, Seong Keun [Center for Electronic Materials, Korea Institute of Science and Technology, Seoul 136-791 (Korea, Republic of); Park, Hyung-Ho [Department of Materials Science and Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of); Lee, Ki-Suk; Baik, Jeong Min [School of Materials and Science Engineering, UNIST, Ulsan 689-798 (Korea, Republic of); KIST-UNIST Ulsan Center for Convergent Materials, UNIST, Ulsan 689-798 (Korea, Republic of); Choi, Won Jun [Center for Opto-Electronic Materials and Devices, Korea Institute of Science and Technology, Seoul 136-791 (Korea, Republic of); Kim, Dong-Ik [High Temp. Energy Materials Research Center, Korea Institute of Science and Technology, Seoul 136-791 (Korea, Republic of); Hyun, Dow-Bin; Kim, Jin-Sang [Center for Electronic Materials, Korea Institute of Science and Technology, Seoul 136-791 (Korea, Republic of); Baek, Seung-Hyub, E-mail: shbaek77@kist.re.kr [Center for Electronic Materials, Korea Institute of Science and Technology, Seoul 136-791 (Korea, Republic of); KIST-UNIST Ulsan Center for Convergent Materials, UNIST, Ulsan 689-798 (Korea, Republic of); Department of Nanomaterials Science and Technology, Korea University of Science and Technology, Daejeon, 305-333 (Korea, Republic of)

    2016-09-05

    As a field-assisted technique, spark plasma sintering (SPS) enables densification of specimens in a very short period of time compared to other sintering techniques. For high performance thermoelectric material synthesis, SPS is widely used to fabricate nanograin-structured thermoelectric materials by rapidly densifying the nanopowders suppressing grain growth. However, the microstructural evolution behavior of thermoelectric materials by SPS, another important process during sintering, has been rarely studied. Here, we explore SPS as a tool to control the microstructure by long-time SPS. Using p-type (Bi{sub 0.25}Sb{sub 0.75}){sub 2}Te{sub 3} thermoelectric materials as a model system, we systematically vary SPS temperature and time to understand the correlations between SPS conditions, microstructural evolution, and the thermoelectric properties. Our results show that the relatively low eutectic temperature (∼420 °C) and the existence of volatile tellurium (Te) are critical factors to determine both microstructure and thermoelectric property. In the liquid-phase sintering regime, rapid evaporation of Te leads to a strong dependence of thermoelectric property on SPS time. On the other hand, in the solid-phase sintering regime, there is a weak dependence on SPS time. The optimum thermoelectric figure-of-merit (Z) of 2.93 × 10{sup −3}/K is achieved by SPS at 500 °C for 30 min. Our results will provide an insight on the optimization of SPS conditions for materials containing volatile elements with low eutectic temperature. - Highlights: • Spark plasma sintering (SPS) is used to synthesize the thermoelectric (Bi{sub 0.25}Sb{sub 0.75}){sub 2}Te{sub 3}. • Liquid phase and volatile element are a key for the microstructure and thermoelectric property. • Thermoelectric figure-of-merit of 2.9 × 10{sup −3}/K is achieved at 500 °C for 30 min.

  10. Thermodynamical and thermoelectric properties of boron doped YPd{sub 3} and YRh{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Dwivedi, Shalini; Sharma, Yamini, E-mail: sharma.yamini62@gmail.com [Theoretical Condensed Matter Physics Laboratory, Dept. of Physics, Feroze Gandhi College, Raebareli-229001 U.P (India); Sharma, Ramesh [Dept. of Physics, Mewar University, Chittorgarh-312901 Rajasthan (India)

    2016-05-23

    The structural, electronic, thermal, and optical properties of borides of cubic non-magnetic YX{sub 3} (X=Rh, Pd) compounds and their borides which crystallize in the AuCu{sub 3} structure have been studied using the density functional theory (DFT). The flat bands in the vicinity of E{sub F} which are associated with superconductivity appear in YPd{sub 3} and YRh{sub 3} band structures. However, the B s-states enhance the flat band only in YRh{sub 3}B. The optical properties clearly show that boron insertion modifies the absorption and transmittance. The YX{sub 3} alloys and their borides exhibit valuable changes in the thermopower and ZT. It is observed that the properties of the Y-X intermetallics change significantly for the Y-Rh and Y-Pd alloys and the presence of single boron atom modifies the properties to a great extent.

  11. Effects of Yttrium and Iron co-doping on the high temperature thermoelectric properties of Ca{sub 3}Co{sub 4}O{sub 9+δ}

    Energy Technology Data Exchange (ETDEWEB)

    Wu, NingYu, E-mail: niwu@dtu.dk; Van Nong, Ngo; Pryds, Nini; Linderoth, Søren

    2015-07-25

    Highlights: • The Fe and Fe/Y doping at the Co- and Ca-sites of Ca{sub 3}Co{sub 4}O{sub 9+δ} were investigated. • The rising ρ by Y doping can be mitigated by the coupled Fe doping. • The increased Seebeck coefficient by Y doping can be maintained in co-doped system. • The co-doped system leads to an improvement of the thermoelectric performance. • The co-doped system may preserve the merits from each component doping. - Abstract: A series of Y and Fe co-doped Ca{sub 3−x}Y{sub x}Co{sub 4−y}Fe{sub y}O{sub 9+δ} (0 ⩽ x ⩽ 0.3, 0 ⩽ y ⩽ 0.1) samples synthesized by auto-combustion reaction and followed by a spark plasma sintering (SPS) processing with the effects of Fe and Y doping on the high temperature (RT to 800 °C) thermoelectric properties were systematically investigated. For the Fe-doped system (x = 0, y ⩽ 0.1), the electrical resistivity (ρ) decreased over the whole measured temperature range, while the Seebeck coefficient (S) remained almost the same. For the co-doped system, at any fixed Fe doping content, both ρ and S tended to increase with increasing Y dopants, however, the effect is more substantial on ρ than on S, particularly in the low temperature regime. In contrast to ρ and S, the in-plane thermal conductivity (κ) is only slightly influenced by Y and Fe substitutions. Among all the investigated samples, the co-doped sample with x = 0.1 and y = 0.03 showed a decrease of ρ, enhanced power factor over the measured temperature range, and improved ZT at 800 °C as compared to un-doped Ca{sub 3}Co{sub 4}O{sub 9+δ}.

  12. The cross-plane thermoelectric properties of p-Ge/Si0.5Ge0.5 superlattices

    International Nuclear Information System (INIS)

    Ferre Llin, L.; Samarelli, A.; Weaver, J. M. R.; Dobson, P. S.; Paul, D. J.; Cecchi, S.; Chrastina, D.; Isella, G.; Etzelstorfer, T.; Stangl, J.; Müller Gubler, E.

    2013-01-01

    The electrical conductivity, Seebeck coefficients, and thermal conductivities of a range of p-type Ge/Si 0.5 Ge 0.5 superlattices designed for thermoelectric generation and grown by low energy plasma enhanced chemical vapor deposition have been measured using a range of microfabricated test structures. For samples with barriers around 0.5 nm in thickness, the measured Seebeck coefficients were comparable to bulk p-SiGe at similar doping levels suggesting the holes see the material as a random bulk alloy rather than a superlattice. The Seebeck coefficients for Ge quantum wells of 2.85 ± 0.85 nm increased up to 533 ± 25 μV/K as the doping was reduced. The thermal conductivities are between 4.5 to 6.0 Wm −1 K −1 which are lower than comparably doped bulk Si 0.3 Ge 0.7 but higher than undoped Si/Ge superlattices. The highest measured figure of merit ZT was 0.080 ± 0.011 obtained for the widest quantum well studied. Analysis suggests that interface roughness is presently limiting the performance and a reduction in the strain between the quantum wells and barriers has the potential to improve the thermoelectric performance

  13. Structural and thermoelectric properties of the type-I Sn clathrates Cs8Sn46−n(n=0,2) from Density Functional Theory (DFT)

    KAUST Repository

    Egbele, Peter O.

    2018-02-08

    Sn clathrates are promising phonon glass, electron crystal materials (PGEC), in which the phonon free paths are short and the electron free paths are long. We analysed the relaxed structure of Sn clathrates using four different Density Funtional Exchange-Correlation functionals. The phonon structures were investigated as a first step in order to determine the phonon contribution to the thermal conductivity. We determined the Seebeck coefficient and electrical conductivity of the clathrate compound and the thermoelectric figure of merit. A glimpse into the dynamics of the system for the evaluation of the thermoelectric and electronic properties is presented.

  14. Effect of bath temperature on structure, morphology and thermoelectric properties of CoSb{sub 3} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Yadav, Suchitra, E-mail: suchitrayadav87@gmail.com; Pandya, Dinesh K.; Chaudhary, Sujeet [Thin Film Laboratory, Physics Department, Indian Institute of Technology Delhi, New Delhi-110016 (India)

    2016-05-23

    CoSb{sub 3} thin films are deposited on conducting glass substrates (FTO) by electrodeposition at different bath temperatures (60°C, 70°C and 80°C) and the resulting influence of the bath temperature on the structure, morphology and electrical properties of films is investigated. X-ray diffraction confirms the formation of CoSb{sub 3} phase in the films. Scanning electron microscopy reveals that different morphologies ranging from branched nano-flakes to nano-needles evolve as bath temperature increases. It is concluded that a growth temperature of 80°C is suitable for producing CoSb{sub 3} films with such properties that show potential feasibility for thermoelectric applications.

  15. The Influence of Spark Plasma Sintering Temperature on the Microstructure and the Thermoelectric Properties of Al, Ga dually-doped ZnO

    DEFF Research Database (Denmark)

    Han, Li; Le, Thanh Hung; Van Nong, Ngo

    2012-01-01

    Al, Ga dually-doped ZnO was prepared by spark plasma sintering with different sintering temperatures. The microstructural evolution and thermoelectric properties of the samples were investigated in detail. The samples with a sintering temperature above 1223K obtained higher relative densities...

  16. Electrical and thermoelectric transport properties of two-dimensional fermionic systems with k-cubic spin-orbit coupling.

    Science.gov (United States)

    Mawrie, Alestin; Verma, Sonu; Ghosh, Tarun Kanti

    2017-09-01

    We investigate effect of k-cubic spin-orbit interaction on electrical and thermoelectric transport properties of two-dimensional fermionic systems. We obtain exact analytical expressions of the inverse relaxation time (IRT) and the Drude conductivity for long-range Coulomb and short-range delta scattering potentials. The IRT reveals that the scattering is completely suppressed along the three directions θ = (2n+1)π/3 with n=1,2,3. We also obtain analytical results of the thermopower and thermal conductivity at low temperature. The thermoelectric transport coefficients obey the Wiedemann-Franz law, even in the presence of k-cubic Rashba spin-orbit interaction (RSOI) at low temperature. In the presence of quantizing magnetic field, the signature of the RSOI is revealed through the appearance of the beating pattern in the Shubnikov-de Haas (SdH) oscillations of thermopower and thermal conductivity in low magnetic field regime. The empirical formulae for the SdH oscillation frequencies accurately describe the locations of the beating nodes. The beating pattern in magnetothermoelectric measurement can be used to extract the spin-orbit coupling constant. © 2017 IOP Publishing Ltd.

  17. Electrical and thermoelectric transport properties of two-dimensional fermionic systems with k-cubic spin-orbit coupling

    Science.gov (United States)

    Mawrie, Alestin; Verma, Sonu; Kanti Ghosh, Tarun

    2017-11-01

    We investigate the effect of k-cubic spin-orbit interaction on the electrical and thermoelectric transport properties of two-dimensional fermionic systems. We obtain exact analytical expressions of the inverse relaxation time (IRT) and the Drude conductivity for long-range Coulomb and short-range delta scattering potentials. The IRT reveals that the scattering is completely suppressed along the three directions θ^\\prime = (2n+1)π/3 with n=1, 2, 3 . We also obtain analytical results of the thermopower and thermal conductivity at low temperature. The thermoelectric transport coefficients obey the Wiedemann-Franz law, even in the presence of k-cubic Rashba spin-orbit interaction (RSOI) at low temperature. In the presence of a quantizing magnetic field, the signature of the RSOI is revealed through the appearance of the beating pattern in the Shubnikov-de Haas (SdH) oscillations of thermopower and thermal conductivity in the low magnetic field regime. The empirical formulae for the SdH oscillation frequencies accurately describe the locations of the beating nodes. The beating pattern in magnetothermoelectric measurement can be used to extract the spin-orbit coupling constant.

  18. Thermoelectric properties, crystal and electronic structure of semiconducting RECuSe{sub 2} (RE = Pr, Sm, Gd, Dy and Er)

    Energy Technology Data Exchange (ETDEWEB)

    Esmaeili, Mehdi [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario L8S 4M1 (Canada); Tseng, Yu-Chih [CANMET Materials, Natural Resources Canada, 183 Longwood Road South, Hamilton, Ontario L8P 0A5 (Canada); Mozharivskyj, Yurij, E-mail: mozhar@mcmaster.ca [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario L8S 4M1 (Canada)

    2014-10-15

    Highlights: • Crystal and electronic structure of monoclinic and trigonal RECuSe{sub 2} phases. • Thermoelectric properties of the RECuSe{sub 2} phases. • Temperature stability of the RECuSe{sub 2} phases. - Abstract: The ternary RECuSe{sub 2} phases have been prepared and structurally characterized. They adopt either a monoclinic structure (P2{sub 1}/c, z = 4) for lighter rare earths (RE = Pr, Sm and Gd) or Cu-disordered trigonal structure for heavier rare-earths (P3{sup ¯}m1, z = 1, RE = Dy and Er). The resistivity and Seebeck coefficient measurements on GdCuSe{sub 2}, DyCuSe{sub 2} and ErCuSe{sub 2} indicate that the studied phases are p-type semiconductors with relatively small activation energies (0.045–0.11 eV). However, their electrical resistivities are too high (0.45–220 Ω cm at room temperature) to make them competitive thermoelectric materials. Electronic structure calculations indicate presence of a band gap in the RECuSe{sub 2} phases.

  19. Thermoelectric properties, crystal and electronic structure of semiconducting RECuSe2 (RE = Pr, Sm, Gd, Dy and Er)

    International Nuclear Information System (INIS)

    Esmaeili, Mehdi; Tseng, Yu-Chih; Mozharivskyj, Yurij

    2014-01-01

    Highlights: • Crystal and electronic structure of monoclinic and trigonal RECuSe 2 phases. • Thermoelectric properties of the RECuSe 2 phases. • Temperature stability of the RECuSe 2 phases. - Abstract: The ternary RECuSe 2 phases have been prepared and structurally characterized. They adopt either a monoclinic structure (P2 1 /c, z = 4) for lighter rare earths (RE = Pr, Sm and Gd) or Cu-disordered trigonal structure for heavier rare-earths (P3 ¯ m1, z = 1, RE = Dy and Er). The resistivity and Seebeck coefficient measurements on GdCuSe 2 , DyCuSe 2 and ErCuSe 2 indicate that the studied phases are p-type semiconductors with relatively small activation energies (0.045–0.11 eV). However, their electrical resistivities are too high (0.45–220 Ω cm at room temperature) to make them competitive thermoelectric materials. Electronic structure calculations indicate presence of a band gap in the RECuSe 2 phases

  20. Magneto-transport and thermoelectric properties of epitaxial FeSb{sub 2} thin film on MgO substrate

    Energy Technology Data Exchange (ETDEWEB)

    Duong, Anh Tuan; Rhim, S. H., E-mail: sonny@ulsan.ac.kr; Shin, Yooleemi; Nguyen, Van Quang; Cho, Sunglae, E-mail: slcho@ulsan.ac.kr [Department of Physics and Energy Harvest-Storage Research Center, University of Ulsan, Ulsan 680-749 (Korea, Republic of)

    2015-01-19

    We report magneto-transport and thermoelectric properties of FeSb{sub 2} thin film epitaxially grown on the MgO substrate using molecular beam epitaxy. The film exhibits compressive strain of 1.74% owing to large lattice mismatch, whose physical consequences are nontrivial. Magnetic phase has been changed from diamagnetic in bulk, as evidenced by anomalous Hall effect (AHE) and negative magneto-resistance (MR). The FeSb{sub 2} film is semiconducting without any metallic transition unlike the bulk counterpart. In particular, hysteresis in MR with distinct feature of AHE is evident with coercive field of 500 and 110 Oe for T = 20 and 50 K, respectively. Furthermore, from the Seebeck coefficients and temperature dependence of the resistivity, it is evident that the film is semiconducting with small band gap: 3.76 meV for T < 40 K and 13.48 meV for T > 40 K, respectively, where maximum thermoelectric power factor of 12 μV/cm·K at T = 50 K.

  1. Thermoelectric property of fine-grained CoSb3 skutterudite compound fabricated by mechanical alloying and spark plasma sintering

    International Nuclear Information System (INIS)

    Liu Weishu; Zhang Boping; Li Jingfeng; Zhao Lidong

    2007-01-01

    Skutterudite CoSb 3 polycrystalline materials were prepared using a combined process of mechanical alloying (MA) and spark plasma sintering (SPS). The influence of SPS temperature on the thermoelectric properties was focused in this work with a special emphasis on the analysis of the size effects of grains. The average grain sizes decreased from 300 to 50 nm with decreasing SPS temperatures from 600 to 300 deg. C. The electrical resistivities of samples spark plasma sintered at 300-600 deg. C all decreased with increasing temperature, indicating a classic intrinsic conduction behaviour of semiconductors. The samples spark plasma sintered at 300-500 deg. C showed a positive Seebeck coefficient while the sample spark plasma sintered at 600 deg. C showed a negative Seebeck coefficient. The room-temperature thermal conductivities were reduced from 4.30 to 2.92 W m -1 K -1 as the grain sizes were decreased from 300 to 100 nm corresponding to SPS at 600 and 400 deg. C, respectively. The present work indicates that MA and SPS is a good combination for fabricating fine-grained CoSb 3 thermoelectric materials

  2. Microstructure analyses and thermoelectric properties of Ag1−xPb18Sb1+yTe20

    International Nuclear Information System (INIS)

    Perlt, S.; Höche, Th.; Dadda, J.; Müller, E.; Bauer Pereira, P.; Hermann, R.; Sarahan, M.; Pippel, E.; Brydson, R.

    2012-01-01

    This study reports microstructural investigations of long-term annealed Ag 1−x Pb m Sb 1+y Te 2+m (m=18, x=y=0, hereinafter referred to as AgPb 18 SbTe 20 ) (Lead–Antimony–Silver–Tellurium, LAST-18) as well as of Ag 1−x Pb 18 Sb 1+y Te 20 , i.e. Ag-deficient and Sb-excess LAST-18 (x≠0,y≠0), respectively. Two different length scales are explored. The micrometer scale was evaluated by SEM to analyze the volume fraction and the number of secondary phases as well as the impact of processing parameters on the homogeneity of bulk samples. For AgPb 18 SbTe 20 , site-specific FIB liftout of TEM lamellae from thermoelectrically characterized samples was accomplished to investigate the structure on the nanometer scale. High-resolution TEM and energy-filtered TEM were performed to reveal shape and size distribution of nanoprecipitates, respectively. A hypothesis concerning the structure–property relationship is set out within the frame of a gradient annealing experiment. This study is completed by results dealing with inhomogeneities on the micrometer scale of Ag 1−x Pb 18 Sb 1+y Te 20 and its electronic properties. Highlights: ► SEM and TEM microstructure investigation of long-term annealed AgPb 18 SbTe 20 . ► SEM and thermoelectric studies on Ag 1−x Pb 18 Sb 1+y Te 20 . ► Discussion concerning structure–property relationship in long-term annealed AgPb 18 SbTe 20 . ► Correlation between Ag 1−x Pb 18 Sb 1+y Te 20 microscale structure and electronic properties.

  3. Arsenene and Antimonene: Two-Dimensional Materials with High Thermoelectric Figures of Merit

    KAUST Repository

    Sharma, S.

    2017-10-25

    We study the thermoelectric properties of As and Sb monolayers (arsenene and antimonene) using density-functional theory and the semiclassical Boltzmann transport approach. The materials show large band gaps combined with low lattice thermal conductivities. Specifically, the small phonon frequencies and group velocities of antimonene lead to an excellent thermoelectric response at room temperature. We show that n-type doping enhances the figure of merit.

  4. Development of Perovskite-Type Materials for Thermoelectric Application

    Directory of Open Access Journals (Sweden)

    Tingjun Wu

    2018-06-01

    Full Text Available Oxide perovskite materials have a long history of being investigated for thermoelectric applications. Compared to the state-of-the-art tin and lead chalcogenides, these perovskite compounds have advantages of low toxicity, eco-friendliness, and high elemental abundance. However, because of low electrical conductivity and high thermal conductivity, the total thermoelectric performance of oxide perovskites is relatively poor. Variety of methods were used to enhance the TE properties of oxide perovskite materials, such as doping, inducing oxygen vacancy, embedding crystal imperfection, and so on. Recently, hybrid perovskite materials started to draw attention for thermoelectric application. Due to the low thermal conductivity and high Seebeck coefficient feature of hybrid perovskites materials, they can be promising thermoelectric materials and hold the potential for the application of wearable energy generators and cooling devices. This mini-review will build a bridge between oxide perovskites and burgeoning hybrid halide perovskites in the research of thermoelectric properties with an aim to further enhance the relevant performance of perovskite-type materials.

  5. Impact of microstructure on the thermoelectric properties of the ternary compound Ce{sub 3}Cu{sub 3}Sb{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Witas, Piotr, E-mail: pwitas@us.edu.pl [Institute of Physics, University of Silesia, Uniwersytecka 4, Katowice 40-007 (Poland); Goraus, Jerzy; Zajdel, Paweł; Balin, Katarzyna; Koperski, Janusz [Institute of Physics, University of Silesia, Uniwersytecka 4, Katowice 40-007 (Poland); Lelątko, Józef [Institute of Materials Science, University of Silesia, 75 Pułku Piechoty 1a, Chorzów 41-500 (Poland); Ślebarski, Andrzej [Institute of Physics, University of Silesia, Uniwersytecka 4, Katowice 40-007 (Poland)

    2017-01-15

    We present detailed structural and thermoelectric studies of the ternary compound Ce{sub 3}Cu{sub 3}Sb{sub 4}. This material is of interest due to previously reported considerable thermopower above room temperature (∼ 100 μV/K) and low thermal conductivity (2 W/(m K)). Here, we present detailed studies concerning microstructural and thermoelectric data, their variation across the samples and possible explanations for the observed behaviour. We have used X-ray diffraction, scanning electron microscopy (SEM), and time-of-flight secondary ion mass spectrometry (TOF-SIMS) for microstructural analysis. The thermoelectric properties were examined using a physical property measurement system (PPMS). We analyse the impact of the sample quality on the thermoelectric properties. The most unstable parameter is the material resistivity which varies between 1.5 and 15 mΩ cm at room temperature. The properties variability is mainly due to structural defects caused by stresses during material preparation and also due to formation of foreign phases CeCuSb{sub 2} and CeSb. The figure of merit ZT is also strongly dependent on the quality of the sample. The largest value ZT ≈ 0.15 at 400 K is determined for the almost stoichiometric sample with small amounts of a impurity phases. - Highlights: •The Ce{sub 3}Cu{sub 3}Sb{sub 4} has considerable thermoelectric properties and potential for further chemical and/or structural modification. •The control over foreign phases formation is challenging. •The defects arising during arc melting process highly deteriorate ZT of material.

  6. Thermoelectricity for future sustainable energy technologies

    Directory of Open Access Journals (Sweden)

    Weidenkaff Anke

    2017-01-01

    Full Text Available Thermoelectricity is a general term for a number of effects describing the direct interconversion of heat and electricity. Thermoelectric devices are therefore promising, environmental-friendly alternatives to conventional power generators or cooling units. Since the mid-90s, research on thermoelectric properties and their applications has steadily increased. In the course of years, the development of high-temperature resistant TE materials and devices has emerged as one of the main areas of interest focusing both on basic research and practical applications. A wide range of innovative and cost-efficient material classes has been studied and their properties improved. This has also led to advances in synthesis and metrology. The paper starts out with thermoelectric history, basic effects underlying thermoelectric conversion and selected examples of application. The main part focuses on thermoelectric materials including an outline of the design rules, a review on the most common materials and the feasibility of improved future high-temperature thermoelectric converters.

  7. High thermoelectric performance of graphite nanofibers.

    Science.gov (United States)

    Tran, Van-Truong; Saint-Martin, Jérôme; Dollfus, Philippe; Volz, Sebastian

    2018-02-22

    Graphite nanofibers (GNFs) have been demonstrated to be a promising material for hydrogen storage and heat management in electronic devices. Here, by means of first-principles and transport simulations, we show that GNFs can also be an excellent material for thermoelectric applications thanks to the interlayer weak van der Waals interaction that induces low thermal conductance and a step-like shape in the electronic transmission with mini-gaps, which are necessary ingredients to achieve high thermoelectric performance. This study unveils that the platelet form of GNFs in which graphite layers are perpendicular to the fiber axis can exhibit outstanding thermoelectric properties with a figure of merit ZT reaching 3.55 in a 0.5 nm diameter fiber and 1.1 in a 1.1 nm diameter one. Interestingly, by introducing 14 C isotope doping, ZT can even be enhanced up to more than 5, and more than 8 if we include the effect of finite phonon mean free path, which demonstrates the amazing thermoelectric potential of GNFs.

  8. The microstructure network and thermoelectric properties of bulk (Bi,Sb)2Te3

    DEFF Research Database (Denmark)

    Xie, Wenjie; Hitchcock, Dale A.; Kang, Hye J.

    2012-01-01

    We report small-angle neutron scattering studies on the microstructure network in bulk (Bi,Sb)(2)Te-3 synthesized by the melt-spinning (MS) and the spark-plasma-sintering (SPS) process. We find that rough interfaces of multiscale microstructures generated by the MS are responsible for the large...... reduction of both lattice thermal conductivity and electrical conductivity. Our study also finds that subsequent SPS forms a microstructure network of similar to 10 nm thick lamellae and smooth interfaces between them. This nanoscale microstructure network with smooth interfaces increases electrical...... conductivity while keeping a low thermal conductivity, making it an ideal microstructure for high thermoelectric efficiency....

  9. Pb-for-Bi substitution for enhancing thermoelectric characteristics of [(Bi,Pb)2Ba2O4+/-ω]0.5CoO2

    Science.gov (United States)

    Sakai, K.; Karppinen, M.; Chen, J. M.; Liu, R. S.; Sugihara, S.; Yamauchi, H.

    2006-06-01

    We report strongly enhanced thermoelectric characteristics for a misfit-layered oxide, [Bi2Ba2O4±ω]0.5CoO2, in a wide temperature range, as achieved through substituting up to 20% of Bi by Pb. The Pb substitution kept the thermal conductivity (κ) unchanged but decreased the electrical resistivity (ρ) and increased the Seebeck coefficient (S) simultaneously, such that a three-fold enhancement in the thermoelectric figure of merit, Z (≡S2/ρκ), was realized. At the same time x-ray absorption near-edge structure data indicated that the valence and spin states of Co are not affected by the Pb-for-Bi substitution.

  10. Improvement of thermoelectric properties of Bi{sub 2}Te{sub 3} and Sb{sub 2}Te{sub 3} films grown on graphene substrate

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Chang Wan [Thin Film Materials Research Group, Korea Research Institute of Chemical Technology, Daejeon (Korea, Republic of); School of Electrical and Electronic Engineering, Yonsei University, Seoul (Korea, Republic of); Kim, Gun Hwan; Choi, Ji Woon; An, Ki-Seok; Lee, Young Kuk [Thin Film Materials Research Group, Korea Research Institute of Chemical Technology, Daejeon (Korea, Republic of); Kim, Jin-Sang [Center for Electronic Materials, Korea Institute of Science and Technology, Seoul (Korea, Republic of); Kim, Hyungjun [School of Electrical and Electronic Engineering, Yonsei University, Seoul (Korea, Republic of)

    2017-06-15

    A study of substrate effect on the thermoelectric (TE) properties of Bi{sub 2}Te{sub 3} (BT) and Sb{sub 2}Te{sub 3} (ST) thin films grown by plasma-enhanced chemical vapor deposition (PECVD) was performed. Graphene substrates which have small lattice mismatch with BT and ST were used for the preparation of highly oriented BT and ST thin films. Carrier mobility of the epitaxial BT and ST films grown on the graphene substrates increased as the deposition temperature increased, which was not observed in that of SiO{sub 2}/Si substrates. Seebeck coefficients of the as-grown BT and ST films were observed to be maintained even though carrier concentration increased in the epitaxial BT and ST films on graphene substrate. Although Seebeck coefficient was not improved, power factor of the as-grown BT and ST films was considerably enhanced due to the increase of electrical conductivity resulting from the high carrier mobility and moderate carrier concentration in the epitaxial BT and ST films. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  11. Thermoelectric properties of TbFe{sub 2} and TbCo{sub 2} in C15- laves phase: Spin-polarized DFT+U approach

    Energy Technology Data Exchange (ETDEWEB)

    Reshak, A.H., E-mail: maalidph@yahoo.co.uk [New Technologies - Research Centre, University of West Bohemia, Univerzitni 8, Pilsen 306 14 (Czech Republic); School of Material Engineering, University Malaysia Perlis, Kangar, Perlis 01007 (Malaysia)

    2017-01-15

    Thermoelectric properties of materials are intimately related to their electronic band structure. Combining first- and second-principles calculations, we have obtained the transport properties for the spin-up and spin-down electrons of the laves phase TbFe{sub 2} and TbCo{sub 2} compounds. The unique band structure feature and the density of states at Fermi level (E{sub F}) promote the E{sub F} to a point where carriers are in energetic proximity to these features. The non-zero density of states at E{sub F} for the spin-up (↑) and spin-down (↓) electrons leads to unusual transport properties because both the (↑) and (↓) densities contributes to the states at E{sub F}. The parabolic bands in the vicinity of E{sub F} enhance the carriers mobility and hence the transport properties of TbFe{sub 2} and TbCo{sub 2}. Calculations show that the spin-up/down transport coefficients are temperature-dependent. It has been found that TbCo{sub 2} possess larger Seebeck coefficient than that of TbFe{sub 2} and hence the power factor. The calculated Seebeck coefficient of TbCo{sub 2} agree well with the available experimental data. - Highlights: • The transport properties of TbFe{sub 2} and TbCo{sub 2} are obtained. • The non-zero density of states at E{sub F} leads to unusual transport properties. • Spin-up/down transport coefficients are temperature-dependent. • The calculated Seebeck coefficient of TbCo{sub 2} agree with the experimental data. • TbCo{sub 2} possesses larger Seebeck coefficient than that of TbFe{sub 2}.

  12. Recent Progress on PEDOT-Based Thermoelectric Materials.

    Science.gov (United States)

    Wei, Qingshuo; Mukaida, Masakazu; Kirihara, Kazuhiro; Naitoh, Yasuhisa; Ishida, Takao

    2015-02-16

    The thermoelectric properties of poly(3,4-ethylenedioxythiophene) (PEDOT)-based materials have attracted attention recently because of their remarkable electrical conductivity, power factor, and figure of merit. In this review, we summarize recent efforts toward improving the thermoelectric properties of PEDOT-based materials. We also discuss thermoelectric measurement techniques and several unsolved problems with the PEDOT system such as the effect of water absorption from the air and the anisotropic thermoelectric properties. In the last part, we describe our work on improving the power output of thermoelectric modules by using PEDOT, and we outline the potential applications of polymer thermoelectric generators.

  13. Flexible n-type thermoelectric composite films with enhanced performance through interface engineering and post-treatment

    Science.gov (United States)

    An, Hyeunhwan; Karas, Dale; Kim, Byung-Wook; Trabia, Sarah; Moon, Jaeyun

    2018-07-01

    Flexible thermoelectric (TE) materials, which are devices that convert thermal gradients to electrical energy, have attracted interest for practical energy-harvesting/recovery applications. However, as compared with p-type materials, the progress on the development of n-type TE flexible materials has been slow due to difficulties involved in n-type doping techniques. This study used high mobility carbon nanotubes (CNTs) to a uniformly mixed hybrid-composite, resulting in an enhanced power factor by increasing electrical conductivity. The energy filtering effect and stoichiometric composition of the material used, bismuth telluride (Bi2Te3) correlated to a significant enhancement in TE performance, with a power factor of 225.9 μW m‑1K‑2 at room temperature: a factor of 65 higher than as-fabricated composite film. This paper describes a simplified synthesis for the preparation of the composite film that eliminates time-intensive and cost-prohibitive processing, traditionally seen during extrusion and dicing inorganic manufacturing. The resulting post-annealed composite film consisting of Bi2Te3 nanowire and CNTs demonstrate a promising candidate for material that can be used for an n-type TE device that has improved energy conversion efficiency.

  14. Morphology, thermoelectric properties and wet-chemical doping of laser-sintered germanium nanoparticles

    International Nuclear Information System (INIS)

    Stoib, Benedikt; Langmann, Tim; Matich, Sonja; Sachsenhauser, Matthias; Stutzmann, Martin; Brandt, Martin S.; Petermann, Nils; Wiggers, Hartmut

    2013-01-01

    Porous, highly doped semiconductors are potential candidates for thermoelectric energy conversion elements. We report on the fabrication of thin films of Ge via short-pulse laser-sintering of Ge nanoparticles (NPs) in vacuum and study the macroporous morphology of the samples by secondary electron microscopy (SEM) imaging. The temperature dependence of the electrical conductivity and the Seebeck coefficient of undoped Ge is discussed in conjunction with the formation of a defect band near the valence band. We further introduce a versatile method of doping the resulting films with a variety of common dopant elements in group-IV semiconductors by using a liquid containing the dopant atoms. This method is fully compatible with laser-direct writing and suited to fabricate small scale thermoelectric generators. The incorporation of the dopants is verified by X-ray photoelectron spectroscopy (XPS) and their electrical activation is studied by conductivity and thermopower measurements. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  15. Enhanced Efficiency of Thermoelectric Generator by Optimizing Mechanical and Electrical Structures

    Directory of Open Access Journals (Sweden)

    Jinlong Chen

    2017-09-01

    Full Text Available Much attention has been paid to the application of low temperature thermal resources, especially for power generation in recent years. Most of the current commercialized thermal (including geothermal power-generation technologies convert thermal energy to electric energy indirectly, that is, making mechanical work before producing electricity. Technology using a thermoelectric generator (TEG, however, can directly transform thermal energy into electricity through the Seebeck effect. TEG technology has many advantages such as compactness, quietness, and reliability because there are no moving parts. One of the biggest disadvantages of TEGs is the low efficiency from thermal to electric energy. For this reason, we redesigned and modified our previous 1 KW (at a temperature difference of around 120 °C TEG system. The output power of the system was improved significantly, about 34.6% greater; the instantaneous efficiency of the TEG system could reach about 6.5%. Laboratory experiments have been conducted to measure the output power at different conditions: different connection modes between TEG modules, different mechanical structures, and different temperature differences between hot and cold sides. The TEG apparatus has been tested and the data have been presented. This kind of TEG power system can be applied in many thermal and geothermal sites with low temperature resources, including oil fields where fossil and geothermal energies are coproduced.

  16. Synthesis, characterization and investigation of thermoelectric properties of selected metal borides; Synthese, Charakterisierung und Untersuchung thermoelektrischer Eigenschaften ausgewaehlter Metallboride

    Energy Technology Data Exchange (ETDEWEB)

    Stober, Frederick

    2012-06-04

    The present work deals with the high-temperature thermoelectric properties of transition metal [eg V, Cr, Mn, Ni, Cu] and lanthanide [e.g. Sc, Y, Gd, Er, Dy]-borides. In particular, intercalation compounds of beta-rhombohedral boron, compounds of the type MB{sub 66}, dodecaborides and hexaborides were examined. In the case of intercalation compounds of beta-rhombohedral boron it was found that the incorporation of metals such as Sc, Mn or Cu result in favorable thermoelectric properties. The reason is most likely the preferred occupation of the metal position M2 instead of M4. Composites, for example, DyB{sub 66}-DyB{sub 12} show high electrical conductivities, high Seebeck effects at high temperatures due to the presence of DyB{sub 12} and low thermal conductivities as a result of the DyB{sub 66} matrix. At 1100K the composite DyB{sub 66}-DyB{sub 12} shows a ZT value of 0.55, thus exceeding the ZT of boron carbide (B{sub 13}C{sub 2}) at this temperature which is considered the best p-type boride material. A composite of ErB{sub 12}-ErB{sub 4}-ErB{sub 2} has negative Seebeck coefficients and shows a ZT value of 0.5 at 840K. Furthermore, the structure of tetragonal Scandiumdodecaboride ScB{sub 12} was solved on the basis of synchrotron data from a crystalline powder, after it has been debated for decades but never fully resolved.

  17. Magnetic and thermoelectric properties of electron doped Ca{sub 0.85}Pr{sub 0.15}MnO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Hossain Khan, Momin [Department of Physics, University of Kalyani, Kalyani 741235, West Bengal (India); Pal, Sudipta, E-mail: sudipta.pal@rediffmail.com [Department of Physics, University of Kalyani, Kalyani 741235, West Bengal (India); Bose, Esa [Department of Engineering Physics, B. P. P. I. M.T, Kolkata 700052, West Bengal (India)

    2015-10-01

    We have investigated temperature-dependent magnetization (M), magnetic susceptibility (χ) and thermoelectric (S) properties of the electron-doped Ca{sub 0.85}Pr{sub 0.15}MnO{sub 3}. With decrease of temperature, paramagnetic (PM) to antiferromagnetic (AFM) phase transition occurs with a well-defined Néel temperature (T{sub N}=122 K). Magnetic susceptibility measurements reveal that the paramagnetic state involves modified Curie–Weiss paramagnetism. Field cooled and zero field cooled magnetization measurements indicate a signature of magnetic frustration. Ferromagnetic (FM) double-exchange interactions associated with doped e{sub g} electrons are favored over competing AFM interactions below T{sub irr}=112 K. Magnetization data also shows a second-order phase transition. The sign reversal in S(T) has been interpreted in terms of the change in the electronic structure relating to the orbital degrees of freedom of the doped e{sub g} electron. Low temperature (5–140 K) thermoelectric power, S (T) signifies the importance of electron–magnon scattering process. - Highlights: • Magnetic and thermoelectric properties have been investigated in Ca{sub 0.85}Pr{sub 0.15}MnO{sub 3}. • It shows a PM–AFM second order phase transition at T{sub N}=122 K. • PM state involves modified Curie–Weiss paramagnetism. • The electron–magnon scattering dominates temperature dependent thermoelectric power.

  18. Interfacial reactions in thermoelectric modules

    KAUST Repository

    Wu, Hsin-jay; Wu, Albert T.; Wei, Pei-chun; Chen, Sinn-wen

    2018-01-01

    Engineering transport properties of thermoelectric (TE) materials leads to incessantly breakthroughs in the zT values. Nevertheless, modular design holds a key factor to advance the TE technology. Herein, we discuss the structures of TE module

  19. Ambient growth of highly oriented Cu{sub 2}S dendrites of superior thermoelectric behaviour

    Energy Technology Data Exchange (ETDEWEB)

    Mulla, Rafiq; Rabinal, M.K., E-mail: mkrabinal@yahoo.com

    2017-03-01

    Highlights: • A simple and ambient route to synthesize highly oriented dendrites of copper sulfide is proposed. • Remarkable enhancement is observed in Seebeck coefficient by room temperature, solution phase doping. • High thermoelectric power factor is observed at room temperature, indicating promising behaviour. - Abstract: Low-cost, non-toxic and efficient material is an urgent need for the thermoelectric energy conversion. Here, a rapid and ambient chemical route has been developed to grow dense and highly oriented dendrites of copper sulfide (Cu{sub 2}S) on copper substrate in a very simple approach, these films are uniform and covered with dense nanosheets. Room temperature solution doping of copper ions is carried out to improve thermoelectric performance. The Seebeck coefficient increased from ∼100 to 415 μV K{sup −1} with a slight decrease in electrical conductivity, this gives a high power factor (S{sup 2}σ) of about ∼400 μW m{sup −1} K{sup −2}. The improved thermoelectric properties in these films are accounted for resonant energy level doping and high phonon scattering. Such films with improved thermoelectric behaviour can be promising materials for energy conversion. The earth abundant, low cost, non toxic with a good thermoelectric property makes copper sulfide as a promising thermoelectric material for future applications.

  20. THERMOELECTRIC PROPERTIES OF HOT-PRESSED p-TYPE Mg2Si0.3Sn0.7 SOLID SOLUTION

    Directory of Open Access Journals (Sweden)

    G. N. Isachenko

    2014-05-01

    Full Text Available It is shown that thermoelectric energy conversion which gives the possibility for utilizing a low potential heat is one of the ways for adoption of energy-saving technologies; and semiconductor materials with p-type and n-type conductivities having high thermoelectric figure of merit are necessary for operation of thermoelectric generators. The paper deals with possibility of usage of the p-Mg2Si0.3Sn0.7 solid solution (with a nanostructured modification as a couple for the well studied thermoelectric material based on n-Mg2Si-Mg2Sn. A technological scheme for fabrication of heavily doped Mg2Si0.3Sn0.7 solid solution of p-type by hot pressing from nanopowder is developed. The given technology has made it possible to reduce duration of a homogeneous material fabrication and has improved its physical and chemical properties. The samples were made by three ways: direct fusion for polycrystals fabrication; hot pressing from microparticles; nanostructuring, i.e. hot pressing from nanoparticles. By X-ray diffraction it is shown that sizes of structural elements in the fabricated samples are about 40 nm. The probe technique is used for measurement of electric conductivity and Seebeck coefficient. The stationary absolute method is used for measurement of thermal conductivity. Thermoelectric figure of merit is defined by measured values of kinetic coefficients in the temperatures range of 77 – 800 K. It was demonstrated, that electric conductivity, Seebeck coefficient and the power factor do not depend practically on a way of solid solution preparation. Thermal conductivity of samples pressed from nanoparticles has appeared to be higher, than of samples, obtained by direct fusion; i.e. in this case nanostructuring has not led to increase of thermoelectric figure of merit. The conclusion is drawn, that polycrystalline semiconductor Mg2Si0.3Sn0.7 can be used as a p-branch for a thermoelectric generator though nanostructuring has not led to the figure of

  1. Structural, elastic, electronic, optical and thermoelectric properties of the Zintl-phase Ae3AlAs3 (Ae = Sr, Ba)

    Science.gov (United States)

    Benahmed, A.; Bouhemadou, A.; Alqarni, B.; Guechi, N.; Al-Douri, Y.; Khenata, R.; Bin-Omran, S.

    2018-05-01

    First-principles calculations were performed to investigate the structural, elastic, electronic, optical and thermoelectric properties of the Zintl-phase Ae3AlAs3 (Ae = Sr, Ba) using two complementary approaches based on density functional theory. The pseudopotential plane-wave method was used to explore the structural and elastic properties whereas the full-potential linearised augmented plane wave approach was used to study the structural, electronic, optical and thermoelectric properties. The calculated structural parameters are in good consistency with the corresponding measured ones. The single-crystal and polycrystalline elastic constants and related properties were examined in details. The electronic properties, including energy band dispersions, density of states and charge-carrier effective masses, were computed using Tran-Blaha modified Becke-Johnson functional for the exchange-correlation potential. It is found that both studied compounds are direct band gap semiconductors. Frequency-dependence of the linear optical functions were predicted for a wide photon energy range up to 15 eV. Charge carrier concentration and temperature dependences of the basic parameters of the thermoelectric properties were explored using the semi-classical Boltzmann transport model. Our calculations unveil that the studied compounds are characterised by a high thermopower for both carriers, especially the p-type conduction is more favourable.

  2. Magnetic and thermoelectric properties of three different atomic ratio of Bi/Mn in BiMn2O5: DFT approach

    International Nuclear Information System (INIS)

    Khan, Wilayat; Reshak, A.H.; Rafezi Ahmad, Khairel; Alahmed, Z.A.

    2014-01-01

    Electronic structure and magnetic properties of the three different samples of BiMn 2 O 5 , are calculated using the density functional theory (DFT). These samples have different Bi/Mn concentration. For simplicity, we suggest to call them as A, B and C. The calculated band structures show half metallicity for all samples, and possess 100% spin polarization at the Fermi level. The spin up/down density of states are calculated using Engel–Vosko generalized gradient approximation (EV-GGA). We have discussed the effect of Mn magnetic moment (μ B ) on the electronic and magnetic properties of the entire samples. The temperature dependent thermoelectric properties like electrical and thermal conductivity, Seebeck coefficient and power factor are also calculated, employing the Boltzmann transport theory under the BoltzTraP code. Our results indicated that these properties are strongly dependent on Bi/Mn concentration. - Highlights: • FPLAPW method used for calculating the electronic Structure. • The band structure shows that the calculated compounds are half metallic. • The magnetic properties have been calculated. • Thermoelectric properties were also calculated using Boltzmann theory. • Calculated power factor shows that sample B are good thermoelectric material

  3. X-ray characterization, electronic band structure, and thermoelectric properties of the cluster compound Ag.sub.2./sub.Tl.sub.2./sub.Mo.sub.9./sub.Se.sub.11./sub..

    Czech Academy of Sciences Publication Activity Database

    Al Rahal Al Orabi, R.; Gougeon, P.; Gall, Ph.; Fontaine, B.; Gautier, R.; Colin, M.; Candolfi, C.; Dauscher, A.; Hejtmánek, Jiří; Malaman, B.; Lenoir, B.

    2014-01-01

    Roč. 53, č. 21 (2014), 11699-11709 ISSN 0020-1669 Institutional support: RVO:68378271 Keywords : thermoelectric properties * electronic band structure * cluster compound Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 4.762, year: 2014

  4. Temperature-induced assembly of semiconductor nanocrystals into fractal architectures and thermoelectric power properties in Au/Ge bilayer films

    Energy Technology Data Exchange (ETDEWEB)

    Li Quanbao; Wang Jian; Jiao Zheng [Shanghai Applied Radiation Institute, Institute of Nanochemistry and Nanobiology, School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444 (China); Wu Minghong, E-mail: mhwu@staff.shu.edu.cn [Shanghai Applied Radiation Institute, Institute of Nanochemistry and Nanobiology, School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444 (China); Shek, Chan-Hung; Lawrence Wu, C.M.; Lai, Joseph K.L. [Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon Tong (Hong Kong); Chen Zhiwen, E-mail: cnzwchen@yahoo.com.cn [Shanghai Applied Radiation Institute, Institute of Nanochemistry and Nanobiology, School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444 (China); Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon Tong (Hong Kong)

    2011-08-15

    Highlights: > Ge fractal architectures were achieved by temperature-induced assembly. > The appearance of fractal architectures influences the thermoelectric power. > But it has little effect on the resistivity. > The values of the superlocalization exponent were within 1.22 {<=} {xi} {<=} 1.29. > It was higher than expected for two-dimension fractal system. - Abstract: Fractal architectures of semiconductor nanocrystals were successfully achieved by temperature-induced assembly of semiconductor nanocrystals in gold/germanium (Au/Ge) bilayer films. New assessment strategies of fractal architectures are of fundamental importance in the development of micro/nano-devices. Temperature-dependent properties including resistivity and thermoelectric power (TEP) of Au/Ge bilayer films with self-similar fractal patterns were investigated in detail. Experimental results indicated that the microstructure of Au film plays an important role in the characteristics of Au/Ge bilayer films after annealing and the crystallization processes of amorphous Ge accompany by fractal formation of Ge nanocrystals via temperature-induced assembly. The appearance of fractal architectures has significantly influence on the TEP but little effect on the resistivity of the annealed bilayer film. By analysis of the data, we found that the values of superlocalization exponent are within 1.22 {<=} {xi} {<=} 1.29, which are higher than expected for two-dimension fractal systems. The results provided possible evidence for the superlocalization on fractal architectures in Au/Ge bilayer films. The TEP measurements are considered a more effective method than the conductivity for investigating superlocalization in a percolating system.

  5. Effects of Fe3O4 Magnetic Nanoparticles on the Thermoelectric Properties of Heavy-Fermion YbAl3 Materials

    Science.gov (United States)

    He, Danqi; Mu, Xin; Zhou, Hongyu; Li, Cuncheng; Ma, Shifang; Ji, Pengxia; Hou, Weikang; Wei, Ping; Zhu, Wanting; Nie, Xiaolei; Zhao, Wenyu

    2018-06-01

    The magnetic nanocomposite thermoelectric materials xFe3O4/YbAl3 ( x = 0%, 0.3%, 0.6%, 1.0%, and 1.5%) have been prepared by the combination of ultrasonic dispersion and spark plasma sintering process. The nanocomposites retain good chemical stability in the presence of the second-phase Fe3O4. The second-phase Fe3O4 magnetic nanoparticles are distributed on the interfaces and boundaries of the matrix. The x dependences of thermoelectric properties indicate that Fe3O4 magnetic nanoparticles can significantly decrease the thermal conductivity and electrical conductivity. The magnetic nanoparticles embedded in YbAl3 matrix are not only the phonon scattering centers of nanostructures, but also the electron scattering centers due to the Kondo-like effect between the magnetic moment of Fe3O4 nanoparticles and the spin of electrons. The ZT values of the composites are first increased in the x range 0%-1.0% and then decreased when x > 1.0%. The highest ZT value reaches 0.3 at 300 K for the nanocomposite with x = 1.0%. Our work demonstrates that the Fe3O4 magnetic nanoparticles can greatly increase the thermoelectric performance of heavy-fermion YbAl3 thermoelectric materials through simultaneously scattering electrons and phonons.

  6. Thermoelectrical-electrothermal feedback (te-et f) enhanced performance characteristics of a high temperature superconductor far-infrared bolometer

    International Nuclear Information System (INIS)

    Kaila, M.M.; Russell, G.J.

    2000-01-01

    Full text: It is more than a decade since the discovery of new a High Temperature Superconducting (HTSC) materials. Their adaptation to large scale applications e.g. high magnetic fields, friction-less motors, levitation trains etc., is still long way to go. Small scale applications e.g., far-infrared sensors, has certainly been established as a highly suitable area for immediate economically viable commercial exploitation. The semiconductor counterparts, NT(Neutron Transmutation doped)Ge, CD(Compensation Doped)Si sensors are not only expensive and difficult to manufacture but also require liquid helium refrigeration at mK temperatures to operate. Although the work around the world has centered on photo-electrical bolometers, in our approach we have adopted a much simpler, temperature stable and a better performing photo-thermoelectrical mode of operation. It is well known that the semi-metal BiSb has the highest electronic thermoelectric figure of merit at liquid nitrogen temperatures. One can obtain a value around 1x10 -2 / K by application of a magnetic field to the BiSb leg of a composite. BiSb-HTSC bolometer. We can use this high figure of merit to our advantage in two different modes of operation of the detector. One is the static mode where the thermoelectric power generated across the semi-metal leg (connected in parallel with the HTSC leg) of the bolometer drives the external electronic circuitry. This circuitry can be remotely (no direct electrical contact) coupled to the bolometer e.g. through the primary coil of a SQUID current amplifier, which can be connected in series with the bolometer inside the cryostat, for better noise performance, or outside, for convenience. Second is the heterodyne operation. The external bias is applied in a constant voltage bias mode. The direction of the bias is so chosen that the transient Peltier power generated, from the incident radiation, in the circuit extracts additional heat at the sensitive area of the bolometer

  7. Exploring the doping effects of Ag in p-type PbSe compounds with enhanced thermoelectric performance

    Science.gov (United States)

    Wang, Shanyu; Zheng, Gang; Luo, Tingting; She, Xiaoyu; Li, Han; Tang, Xinfeng

    2011-11-01

    In this study, we prepared a series of Ag-doped PbSe bulk materials by a melting-quenching process combined with a subsequent spark plasma sintering process, and systematically investigated the doping effects of Ag on the thermoelectric properties. Ag substitution in the Pb site does not introduce resonant levels near the valence band edge or detectable change in the density of state in the vicinity of the Fermi level, but moves the Fermi level down and increases the carrier concentration to a maximum value of ~4.7 × 1019 cm-3 which is still insufficient for heavily doped PbSe compounds. Nonetheless, the non-monotonic variation in carrier concentration with increasing Ag content indicates that Ag doping reaches the solution limit at ~1.0% and the excessive Ag presumably acts as donors in the materials. Moreover, the large energy gap of the PbSe-based material wipes off significant 'roll-over' in the Seebeck coefficient at elevated temperatures which gives rise to high power factors, being comparable to p-type Te analogues. Consequently, the maximum ZT reaches ~1.0 for the 1.5% Ag-doped samples with optimized carrier density, which is ~70% improvement in comparison with an undoped sample and also superior to the commercialized p-type PbTe materials.

  8. Exploring the doping effects of Ag in p-type PbSe compounds with enhanced thermoelectric performance

    International Nuclear Information System (INIS)

    Wang Shanyu; Zheng Gang; Luo Tingting; She Xiaoyu; Li Han; Tang Xinfeng

    2011-01-01

    In this study, we prepared a series of Ag-doped PbSe bulk materials by a melting-quenching process combined with a subsequent spark plasma sintering process, and systematically investigated the doping effects of Ag on the thermoelectric properties. Ag substitution in the Pb site does not introduce resonant levels near the valence band edge or detectable change in the density of state in the vicinity of the Fermi level, but moves the Fermi level down and increases the carrier concentration to a maximum value of ∼4.7 × 10 19 cm -3 which is still insufficient for heavily doped PbSe compounds. Nonetheless, the non-monotonic variation in carrier concentration with increasing Ag content indicates that Ag doping reaches the solution limit at ∼1.0% and the excessive Ag presumably acts as donors in the materials. Moreover, the large energy gap of the PbSe-based material wipes off significant 'roll-over' in the Seebeck coefficient at elevated temperatures which gives rise to high power factors, being comparable to p-type Te analogues. Consequently, the maximum ZT reaches ∼1.0 for the 1.5% Ag-doped samples with optimized carrier density, which is ∼70% improvement in comparison with an undoped sample and also superior to the commercialized p-type PbTe materials.

  9. Influences of spark plasma sintering temperature on the microstructures and thermoelectric properties of (Sr0.95Gd0.05)TiO3 ceramics

    Science.gov (United States)

    Li, Liang-Liang; Qin, Xiao-Ying; Liu, Yong-Fei; Liu, Quan-Zhen

    2015-06-01

    (Sr0.95Gd0.05)TiO3 (SGTO) ceramics are successfully prepared via spark plasma sintering (SPS) respectively at 1548, 1648, and 1748 K by using submicron-sized SGTO powders synthesized from a sol-gel method. The densities, microstructures, and thermoelectric properties of the SGTO ceramics are studied. Though the Seebeck coefficient shows no obvious difference in the case that SPS temperatures range from 1548 K to 1648 K, the electrical conductivity and the thermal conductivity increase remarkably due to the increase in grain size and density. The sample has a density higher than 98% theoretical density as the sintering temperature increases up to 1648 K and shows average grain sizes increasing from ˜ 0.7 μm to 7 μm until 1748 K. As a result, the maximum of the dimensionless figure of merit of ˜ 0.24 is achieved at ˜ 1000 K for the samples sintered at 1648 K and 1748 K, which was ˜ 71% larger than that (0.14 at ˜ 1000 K) for the sample sintered at 1548 K due to the enhancement of the power factor. Project supported by the National Natural Science Foundation of China (Grant Nos. 11174292, 51101150, and 11374306).

  10. Nanocomposites with High Thermoelectric Figures of Merit

    Science.gov (United States)

    Chen, Gang (Inventor); Dresselhaus, Mildred (Inventor); Ren, Zhifeng (Inventor)

    2015-01-01

    The present invention is generally directed to nanocomposite thermoelectric materials that exhibit enhanced thermoelectric properties. The nanocomposite materials include two or more components, with at least one of the components forming nano-sized structures within the composite material. The components are chosen such that thermal conductivity of the composite is decreased without substantially diminishing the composite's electrical conductivity. Suitable component materials exhibit similar electronic band structures. For example, a band-edge gap between at least one of a conduction band or a valence band of one component material and a corresponding band of the other component material at interfaces between the components can be less than about 5k(sub B)T, wherein k(sub B) is the Boltzman constant and T is an average temperature of said nanocomposite composition.

  11. Effect of linear and non-linear components in the temperature dependences of thermoelectric properties on the energy conversion efficiency

    International Nuclear Information System (INIS)

    Yamashita, Osamu

    2009-01-01

    The new thermal rate equations were built up by taking the linear and non-linear components in the temperature dependences of the Seebeck coefficient α, the electrical resistivity ρ and thermal conductivity κ of a thermoelectric (TE) material into the thermal rate equations on the assumption that their temperature dependences are expressed by a quadratic function of temperature T. The energy conversion efficiency η for a single TE element was formulated using the new thermal rate ones proposed here. By applying it to the high-performance half-Heusler compound, the non-linear component in the temperature dependence of α among those of the TE properties has the greatest effect on η, so that η/η 0 was increased by 11% under the condition of T = 510 K and ΔT = 440 K, where η 0 is a well-known conventional energy conversion efficiency. It was thus found that the temperature dependences of TE properties have a significant influence on η. When one evaluates the accurate achievement rate of η exp obtained experimentally for a TE generator, therefore, η exp should be compared with η the estimated from the theoretical expression proposed here, not with η 0 , particularly when there is a strong non-linearity in the temperature dependence of TE properties.

  12. Fully Ab-Initio Determination of the Thermoelectric Properties of Half-Heusler NiTiSn: Crucial Role of Interstitial Ni Defects.

    Science.gov (United States)

    Berche, Alexandre; Jund, Philippe

    2018-05-23

    For thermoelectric applications, ab initio methods generally fail to predict the transport properties of the materials because of their inability to predict properly the carrier concentrations that control the electronic properties. In this work, a methodology to fill in this gap is applied on the NiTiSn half Heusler phase. For that, we show that the main defects act as donor of electrons and are responsible of the electronic properties of the material. Indeed, the presence of Ni i interstitial defects explains the experimental valence band spectrum and its associated band gap reported in the literature. Moreover, combining the DOS of the solid solutions with the determination of the energy of formation of charged defects, we show that Ni i defects are also responsible of the measured carrier concentration in experimentally supposed "pure" NiTiSn compounds. Subsequently the thermoelectric properties of NiTiSn can be calculated using a fully ab initio description and an overall correct agreement with experiments is obtained. This methodology can be extended to predict the result of extrinsic doping and thus to select the most efficient dopant for specific thermoelectric applications.

  13. Hierarchical thermoelectrics : Crystal grain boundaries as scalable phonon scatterers

    NARCIS (Netherlands)

    Selli, Daniele; Boulfelfel, Salah Eddine; Schapotschnikow, PZ; Donadio, Davide; Leoni, Stefano

    2016-01-01

    Thermoelectric materials are strategically valuable for sustainable development, as they allow for the generation of electrical energy from wasted heat. In recent years several strategies have demonstrated some efficiency in improving thermoelectric properties. Dopants affect carrier

  14. Thermoelectric behavior of conducting polymers: On the possibility of off-diagonal thermoelectricity

    Energy Technology Data Exchange (ETDEWEB)

    Mateeva, N; Niculescu, H; Schlenoff, J; Testardi, L

    1997-07-01

    Non-cubic materials, when structurally aligned, possess sufficient anisotropy to exhibit thermoelectric effects where the electrical and thermal currents are orthogonal (off-diagonal thermoelectricity). The authors discuss the benefits of this form of thermoelectricity for devices and describe a search for suitable properties in the air-stable conducting polymers polyaniline and polypyrrole. They find the simple and general correlation that the logarithm of the electrical conductivity scales linearly with the Seebeck coefficient on doping but with proportionality in excess of the conventional prediction for thermoelectricity. The correlation is unexpected in its universality and unfavorable for thermoelectric applications. A simple model suggests that mobile charges of both signs exist in these polymers, and this leads to reduced thermoelectric efficiency. They also briefly discuss non air-stable polyacetylene, where ambipolar transport does not appear to occur, and where properties seem more favorable for thermoelectricity.

  15. Nanostructured Bulk Thermoelectric Generator for Efficient Power Harvesting for Self-powered Sensor Networks

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yanliang [Idaho National Lab. (INL), Idaho Falls, ID (United States); Butt, Darryl [Idaho National Lab. (INL), Idaho Falls, ID (United States); Agarwal, Vivek [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-07-01

    The objective of this Nuclear Energy Enabling Technology research project is to develop high-efficiency and reliable thermoelectric generators for self-powered wireless sensors nodes utilizing thermal energy from nuclear plant or fuel cycle. The power harvesting technology has crosscutting significance to address critical technology gaps in monitoring nuclear plants and fuel cycle. The outcomes of the project will lead to significant advancement in sensors and instrumentation technology, reducing cost, improving monitoring reliability and therefore enhancing safety. The self-powered wireless sensor networks could support the long-term safe and economical operation of all the reactor designs and fuel cycle concepts, as well as spent fuel storage and many other nuclear science and engineering applications. The research is based on recent breakthroughs in high-performance nanostructured bulk (nanobulk) thermoelectric materials that enable high-efficiency direct heat-to-electricity conversion over a wide temperature range. The nanobulk thermoelectric materials that the research team at Boise State University and University of Houston has developed yield up to a 50% increase in the thermoelectric figure of merit, ZT, compared with state-of-the-art bulk counterparts. This report focuses on the selection of optimal thermoelectric materials for this project. The team has performed extensive study on two thermoelectric materials systems, i.e. the half-Heusler materials, and the Bismuth-Telluride materials. The report contains our recent research results on the fabrication, characterization and thermoelectric property measurements of these two materials.

  16. Decoupling interrelated parameters for designing high performance thermoelectric materials.

    Science.gov (United States)

    Xiao, Chong; Li, Zhou; Li, Kun; Huang, Pengcheng; Xie, Yi

    2014-04-15

    synergistically enhanced thermoelectric properties. This occurs through a significant reduction of thermal conductivity, without the deterioration of thermopower and electrical conductivity. In addition, we introduce the concept of spin entropy in wide band gap semiconductor nanocrystals, which acts to fully disentangle the otherwise interconnected quantities for synergistically optimized thermoelectric performance. Finally, we discuss a new concept we developed that is based on an ultrathin-nanosheet composite that we fabricated from ultrathin nanosheets of atomic thickness. These retain the original strong two-dimensional electron gas (2DEG) and allow for decoupled optimization of the three thermoelectric parameters, which improves thermoelectric performance.

  17. FP-LAPW calculations of the elastic, electronic and thermoelectric properties of the filled skutterudite CeRu4Sb12

    International Nuclear Information System (INIS)

    Shankar, A.; Rai, D.P.; Chettri, Sandeep; Khenata, R.; Thapa, R.K.

    2016-01-01

    We have investigated the electronic structure, elastic and thermoelectric properties of the filled skutterudite CeRu 4 Sb 12 using the density functional theory (DFT). The full potential linearized augmented plane wave (FP-LAPW) method within a framework of the generalized gradient approximation (GGA) approach is used to perform the calculations presented here. The electronic structure calculation suggests an indirect band gap semiconducting nature of the material with energy band gap of 0.08 eV. The analysis of the elastic constants at relaxed positions reveals the ductile nature of the sample material with covalent contribution in the inter-atomic bonding. The narrow band gap semiconducting nature with high value of Seebeck coefficient suggests the possibility of the thermoelectric application of the material. The analysis of the thermal transport properties confirms the result obtained from the energy band structure of the material with high thermopower and dimensionless figure of merit 0.19 at room temperature.

  18. The Influence of Spark Plasma Sintering Temperature on the Microstructure and Thermoelectric Properties of Al,Ga Dual-Doped ZnO

    DEFF Research Database (Denmark)

    Han, Li; Le, Thanh Hung; Van Nong, Ngo

    2013-01-01

    ZnO dual-doped with Al and Ga was prepared by spark plasma sintering using different sintering temperatures. The microstructural evolution and thermoelectric properties of the samples were investigated in detail. The samples obtained with sintering temperature above 1223 K had higher relative...... of ZnO particles and microstructure evolution at different sintering temperatures were investigated by simulation of the self-Joule-heating effect of the individual particles....

  19. The effect of a distinct diameter variation on the thermoelectric properties of individual Bi0.39Te0.61 nanowires

    International Nuclear Information System (INIS)

    Kojda, D; Mitdank, R; Fischer, S F; Mogilatenko, A; Töllner, W; Nielsch, K; Wang, Z; Kröner, M; Woias, P

    2014-01-01

    The reduction of the thermal conductivity induced by nano-patterning is one of the major approaches for tailoring thermoelectric material properties. In particular, the role of surface roughness and morphology is under debate. Here, we choose two individual bismuth telluride nanowires (NWs), one with a strong diameter variation between 190 nm and 320 nm (NW1) and the other of 187 nm diameter with smooth sidewalls (NW2). Both serve as model systems for which bulk properties are expected if surface properties do not contribute. We investigate the role of the diameter variation by means of a combined full-thermoelectrical, structural and chemical characterization. By transmission electron microscopy the structure, chemical composition and morphology were determined after the thermoelectrical investigation. The NWs showed an oriented growth along the [110] direction and the same composition. The Seebeck coefficients of both NWs are comparable to each other. The electrical conductivity of both NWs exceeds the bulk value indicating the presence of a topological surface state. Whereas the thermal conductivity of NW2 compares to the bulk, the thermal conductivity of NW1 is about half of NW2 which is discussed with respect to its distinct diameter variation. (invited article)

  20. Thermoelectric properties of Cu/Ag doped type-III Ba24Ge100 clathrates

    Science.gov (United States)

    Fu, Jiefei; Su, Xianli; Yan, Yonggao; Liu, Wei; Zhang, Zhengkai; She, Xiaoyu; Uher, Ctirad; Tang, Xinfeng

    2017-09-01

    Type-III Ba24Ge100 clathrates possess low thermal conductivity and high electrical conductivity at room temperature and, as such, have a great potential as thermoelectric materials for power generation. However, the Seebeck coefficient is very low due to the intrinsically high carrier concentration. In this paper, a series of Ba24CuxGe100-x and Ba24AgyGe100-y specimens were prepared by vacuum melting combined with the subsequent spark plasma sintering (SPS) process. Doping Cu or Ag on the Ge site not only suppresses the concentration of electrons but it also decreases the thermal conductivity. In addition, the carrier mobility and the Seebeck coefficient increase due to the decrease in the carrier concentration. Thus, the power factor is greatly improved, leading to an improvement in the dimensionless figure of merit ZT. Cu-doped Ba24Cu6Ge94 reaches the maximum ZT value of about 0.17 at 873 K, while Ag-doped Ba24Ag6Ge94 attains the dimensionless figure of merit ZT of 0.31 at 873 K, more than 2 times higher value compared to un-doped Ba24Ge100.

  1. Effect of linear temperature dependence of thermoelectric properties on energy conversion efficiency

    International Nuclear Information System (INIS)

    Yamashita, Osamu

    2008-01-01

    New thermal rate equations were developed by taking the temperature dependences of the electrical resistivity ρ and thermal conductivity κ of the thermoelectric (TE) materials into the thermal rate equations on the assumption that they vary linearly with temperature T. The relative energy conversion efficiency η/η 0 for a single TE element was formulated by approximate analysis, where η and η 0 are the energy conversion efficiencies derived from the new and conventional thermal rate equations, respectively. Applying it to Si-Ge alloys, the temperature dependence of ρ is stronger than that of κ, so the former has a more significant effect on η/η 0 than the latter. However, the degree of contribution from both of them to η/η 0 was a little lower than 1% at the temperature difference ΔT of 600 K. When the temperature dependence of κ was increased to become equal to that of ρ, however, it was found that η/η 0 is increased by about 10% at ΔT = 600 K. It is clarified here that the temperature dependences of ρ and κ are also important factors for an improvement in η

  2. Electronic structure and thermoelectric properties of bismuth telluride and bismuth selenide

    CERN Document Server

    Mishra, S K; Jepsen, O

    1997-01-01

    The electronic structures of the two thermoelectric materials Bi sub 2 Te sub 3 and Bi sub 2 Se sub 3 are studied using density-functional theory with the spin - orbit interaction included. The electron states in the gap region and the chemical bonding can be described in terms of pp sigma interaction between the atomic p orbitals within the 'quintuple' layer. For Bi sub 2 Se sub 3 , we find both the valence-band maximum as well as the conduction-band minimum, each with a nearly isotropic effective mass, to occur at the zone centre in agreement with experimental results. For Bi sub 2 Te sub 3 , we find that the six valleys for the valence-band maximum are located in the mirror planes of the Brillouin zone and they have a highly anisotropic effective mass, leading to an agreement between the de Haas-van Alphen data for the p-doped samples and the calculated Fermi surface. The calculated conduction band, however, has only two minima, instead of the six minima indicated from earlier experiments. The calculated S...

  3. Fabrication and thermoelectric properties of fine-grained TiNiSn compounds

    International Nuclear Information System (INIS)

    Zou Minmin; Li Jingfeng; Du Bing; Liu Dawei; Kita, Takuji

    2009-01-01

    Nearly single-phased TiNiSn half-Heusler compound thermoelectric materials were synthesized by combining mechanical alloying (MA) and spark plasma sintering (SPS) in order to reduce its thermal conductivity by refining the grain sizes. Although TiNiSn compound powders were not synthesized directly via MA, dense bulk samples of TiNiSn compound were obtained by the subsequent SPS treatment. It was found that an excessive Ti addition relative to the TiNiSn stoichiometry is effective in increasing the phase purity of TiNiSn half-Heusler phase in the bulk samples, by compensating for the Ti loss caused by the oxidation of Ti powders and MA processing. The maximum power factor value obtained in the Ti-compensated sample is 1720 μW m -1 K -2 at 685 K. A relatively high ZT value of 0.32 is achieved at 785 K for the present undoped TiNiSn compound polycrystals. - Graphical abstract: Nearly single-phased TiNiSn-based half-Heusler compound polycrystalline materials with fine grains were fabricated by combining mechanical alloying (MA) and spark plasma sintering (SPS). A high ZT value for undoped TiNiSn was obtained because of the reduced thermal conductivity.

  4. Electrodeposition and Thermoelectric Properties of Cu-Se Binary Compound Films

    Science.gov (United States)

    Yang, Mengqian; Shen, Zhengwu; Liu, Xiaoqing; Wang, Wei

    2016-03-01

    Cu-Se binary compound films have been prepared by electrodeposition from solutions containing CuSO4, H2SeO3, and H2SO4 and their composition, structure, and thermoelectric performance analyzed. Moving the depositing potential negatively increased the Cu content in the film, remarkably so for relatively low Cu2+ concentration in the solution. X-ray diffraction analysis showed that the phase composition of the films varied with their Cu content. Cu-Se binary compound films electrodeposited from solutions with different concentration ratios of CuSO4 to H2SeO3 showed two different phases: α-Cu2- x Se (monoclinic) with Se content in the range of 33.3 at.% to 33.8 at.%, and β-Cu2Se (cubic) with Se content in the range of 35.3 at.% to 36.0 at.%. The highest power factor for electrodeposited Cu2- x Se film was 0.13 mW/(K2 m) with Seebeck coefficient of 56.0 μV/K.

  5. Decouple electronic and phononic transport in nanotwinned structures: a new strategy for enhancing the figure-of-merit of thermoelectrics.

    Science.gov (United States)

    Zhou, Yanguang; Gong, Xiaojing; Xu, Ben; Hu, Ming

    2017-07-20

    Thermoelectric (TE) materials manifest themselves to enable direct conversion of temperature differences to electric power and vice versa. Though remarkable advances have been achieved in the past decades for various TE systems, the energy conversion efficiency of TE devices, which is characterized by a dimensionless figure-of-merit (ZT = S 2 σT/(κ el + κ ph )), generally remains a poor factor that severely limits TE devices' competitiveness and range of employment. The bottleneck for substantially boosting the ZT coefficient lies in the strong interdependence of the physical parameters involved in electronic (S and σ, and κ el ) and phononic (κ ph ) transport. Herein, we propose a new strategy of incorporating nanotwinned structures to decouple electronic and phononic transport. Combining the new concept of nanotwinned structures with the previously widely used nanocrystalline approach, the power factor of the nanotwin-nanocrystalline Si heterostructures is enhanced by 120% compared to that of bulk crystalline Si, while the lattice thermal conductivity is reduced to a level well below the amorphous limit, yielding a theoretical limit of 0.52 and 0.9 for ZT coefficient at room temperature and 1100 K, respectively. This value is almost two orders of magnitude larger than that for bulk Si and twice that for polycrystalline Si. Even for the experimentally obtained nanotwin-nanocrystalline heterostructures (e.g. grain size of 5 nm), the ZT coefficient can be as high as 0.26 at room temperature and 0.7 at 1100 K, which is the highest ZT value among all Si-based bulk nanostructures found thus far. Such substantial improvement stems from two aspects: (1) the improvement in the power factor is caused due to an increase in the Seebeck coefficient (degeneracy of the band valley) and the enhancement of electrical conductivity (the reduction of the effective band mass) and (2) the significant reduction of the lattice thermal conductivity is mainly caused due to the

  6. Anomalous enhancement of the thermoelectric figure of merit by V co-doping of Nb-SrTiO3

    KAUST Repository

    Ozdogan, K.; Alshareef, Husam N.; Schwingenschlö gl, Udo; Upadhyay Kahaly, M.

    2012-01-01

    The effect of V co-doping of Nb-SrTiO3 is studied by full-potential density functional theory. We obtain a stronger increase of the carrier density for V than for Nbdopants. While in Nb-SrTiO3 a high carrier density counteracts a high thermoelectric figure of merit, the trend is inverted by V co-doping. The mechanism leading to this behavior is explained in terms of a local spin-polarization introduced by the V ions. Our results indicate that magnetic co-doping can be a prominent tool for improving the thermoelectric figure of merit.

  7. Anomalous enhancement of the thermoelectric figure of merit by V co-doping of Nb-SrTiO3

    KAUST Repository

    Ozdogan, K.

    2012-05-10

    The effect of V co-doping of Nb-SrTiO3 is studied by full-potential density functional theory. We obtain a stronger increase of the carrier density for V than for Nbdopants. While in Nb-SrTiO3 a high carrier density counteracts a high thermoelectric figure of merit, the trend is inverted by V co-doping. The mechanism leading to this behavior is explained in terms of a local spin-polarization introduced by the V ions. Our results indicate that magnetic co-doping can be a prominent tool for improving the thermoelectric figure of merit.

  8. Prospects for Engineering Thermoelectric Properties in La1/3NbO3 Ceramics Revealed via Atomic-Level Characterization and Modeling.

    Science.gov (United States)

    Kepaptsoglou, Demie; Baran, Jakub D; Azough, Feridoon; Ekren, Dursun; Srivastava, Deepanshu; Molinari, Marco; Parker, Stephen C; Ramasse, Quentin M; Freer, Robert

    2018-01-02

    A combination of experimental and computational techniques has been employed to explore the crystal structure and thermoelectric properties of A-site-deficient perovskite La 1/3 NbO 3 ceramics. Crystallographic data from X-ray and electron diffraction confirmed that the room temperature structure is orthorhombic with Cmmm as a space group. Atomically resolved imaging and analysis showed that there are two distinct A sites: one is occupied with La and vacancies, and the second site is fully unoccupied. The diffuse superstructure reflections observed through diffraction techniques are shown to originate from La vacancy ordering. La 1/3 NbO 3 ceramics sintered in air showed promising high-temperature thermoelectric properties with a high Seebeck coefficient of S 1 = -650 to -700 μV/K and a low and temperature-stable thermal conductivity of k = 2-2.2 W/m·K in the temperature range of 300-1000 K. First-principles electronic structure calculations are used to link the temperature dependence of the Seebeck coefficient measured experimentally to the evolution of the density of states with temperature and indicate possible avenues for further optimization through electron doping and control of the A-site occupancies. Moreover, lattice thermal conductivity calculations give insights into the dependence of the thermal conductivity on specific crystallographic directions of the material, which could be exploited via nanostructuring to create high-efficiency compound thermoelectrics.

  9. Effect of Printing Parameters on Tensile, Dynamic Mechanical, and Thermoelectric Properties of FDM 3D Printed CABS/ZnO Composites

    Directory of Open Access Journals (Sweden)

    Yah Yun Aw

    2018-03-01

    Full Text Available Fused deposition modelling (FDM has been widely used in medical appliances, automobile, aircraft and aerospace, household appliances, toys, and many other fields. The ease of processing, low cost and high flexibility of FDM technique are strong advantages compared to other techniques for thermoelectric polymer composite fabrication. This research work focuses on the effect of two crucial printing parameters (infill density and printing pattern on the tensile, dynamic mechanical, and thermoelectric properties of conductive acrylonitrile butadiene styrene/zinc oxide (CABS/ZnO composites fabricated by FDM technique. Results revealed significant improvement in tensile strength and Young’s modulus, with a decrease in elongation at break with infill density. Improvement in dynamic storage modulus was observed when infill density changed from 50% to 100%. However, the loss modulus and damping factor reduced gradually. The increase of thermal conductivity was relatively smaller compared to the improvement of electrical conductivity and Seebeck coefficient, therefore, the calculated figure of merit (ZT value increased with infill density. Line pattern performed better than rectilinear, especially in tensile properties and electrical conductivity. From the results obtained, FDM-fabricated CABS/ZnO showed much potential as a promising candidate for thermoelectric application.

  10. Effect of Printing Parameters on Tensile, Dynamic Mechanical, and Thermoelectric Properties of FDM 3D Printed CABS/ZnO Composites.

    Science.gov (United States)

    Aw, Yah Yun; Yeoh, Cheow Keat; Idris, Muhammad Asri; Teh, Pei Leng; Hamzah, Khairul Amali; Sazali, Shulizawati Aqzna

    2018-03-22

    Fused deposition modelling (FDM) has been widely used in medical appliances, automobile, aircraft and aerospace, household appliances, toys, and many other fields. The ease of processing, low cost and high flexibility of FDM technique are strong advantages compared to other techniques for thermoelectric polymer composite fabrication. This research work focuses on the effect of two crucial printing parameters (infill density and printing pattern) on the tensile, dynamic mechanical, and thermoelectric properties of conductive acrylonitrile butadiene styrene/zinc oxide (CABS/ZnO composites fabricated by FDM technique. Results revealed significant improvement in tensile strength and Young's modulus, with a decrease in elongation at break with infill density. Improvement in dynamic storage modulus was observed when infill density changed from 50% to 100%. However, the loss modulus and damping factor reduced gradually. The increase of thermal conductivity was relatively smaller compared to the improvement of electrical conductivity and Seebeck coefficient, therefore, the calculated figure of merit (ZT) value increased with infill density. Line pattern performed better than rectilinear, especially in tensile properties and electrical conductivity. From the results obtained, FDM-fabricated CABS/ZnO showed much potential as a promising candidate for thermoelectric application .

  11. Preparation by Poly(Acrylic Acid) Sol-Gel Method and Thermoelectric Properties of γ-Na x CoO2 Bulk Materials

    Science.gov (United States)

    Li, Xiaoyu; Zhang, Li; Tang, Xinfeng

    2017-11-01

    γ-Na x CoO2 single-phase powders have been synthesized by a poly(acrylic acid) (PAA) sol-gel (SG) method, and γ-Na x CoO2 bulk ceramic fabricated using spark plasma sintering. The effects of the PAA concentration on the sample phase composition and morphology were investigated. The thermoelectric properties of the γ-Na x CoO2 bulk ceramic were also studied. The results show that the PAA concentration did not significantly affect the crystalline phase of the product. However, agglomeration of γ-Na x CoO2 crystals was suppressed by the steric effect of PAA. The Na x CoO2 bulk ceramic obtained using the PAA SG method had higher crystallographic anisotropy, better chemical homogeneity, and higher density than the sample obtained by solid-state reaction (SSR), leading to improved thermoelectric performance. The PAA SG sample had power factor (in-plane PF = σS 2) of 0.61 mW m-1 K-2 and dimensionless figure of merit ( ZT) along the in-plane direction of 0.19 at 900 K, higher than for the SSR sample (in-plane PF = 0.51 mW m-1 K-2, in-plane ZT = 0.17). These results demonstrate that a simple and feasible PAA SG method can be used for synthesis of Na x CoO2 ceramics with improved thermoelectric properties.

  12. Effects of Mev Si Ions and Thermal Annealing on Thermoelectric and Optical Properties of SiO2/SiO2+Ge Multi-nanolayer thin Films

    Science.gov (United States)

    Budak, S.; Alim, M. A.; Bhattacharjee, S.; Muntele, C.

    Thermoelectric generator devices have been prepared from 200 alternating layers of SiO2/SiO2+Ge superlattice films using DC/RF magnetron sputtering. The 5 MeV Si ionsbombardmenthasbeen performed using the AAMU Pelletron ion beam accelerator to formquantum dots and / or quantum clusters in the multi-layer superlattice thin films to decrease the cross-plane thermal conductivity, increase the cross-plane Seebeck coefficient and increase the cross-plane electrical conductivity to increase the figure of merit, ZT. The fabricated devices have been annealed at the different temperatures to tailor the thermoelectric and optical properties of the superlattice thin film systems. While the temperature increased, the Seebeck coefficient continued to increase and reached the maximum value of -25 μV/K at the fluenceof 5x1013 ions/cm2. The decrease in resistivity has been seen between the fluence of 1x1013 ions/cm2 and 5x1013 ions/cm2. Transport properties like Hall coefficient, density and mobility did not change at all fluences. Impedance spectroscopy has been used to characterize the multi-junction thermoelectric devices. The loci obtained in the C*-plane for these data indicate non-Debye type relaxation displaying the presence of the depression parameter.

  13. Insight into the optoelectronic and thermoelectric properties of Ca-based Zintl phase CaCd2X2 (X = P, As) from first principles calculation

    Science.gov (United States)

    Belfarh, T.; Batouche, M.; Seddik, T.; Uğur, G.; Omran, S. Bin; Bouhemadou, A.; Sandeep; Wang, Xiaotian; Sun, Xiao-Wei; Khenata, R.

    2018-06-01

    We have studied the structural, optical, electronic and thermoelectric properties of the CaCd2X2 (X = P, As) compounds by using the full-potential augmented plane wave plus local orbitals method (FP-APW + lo). The exchange-correlation potential was treated using both the gradient generalized approximation (WC-GGA) and local density approximation (LDA). The estimated structural parameters, including the lattice parameters and internal coordinates agree well with the available experimental data. Our computed band structure shows that both studied compounds are semiconductors, with direct band gaps (Γ-Γ) of approximately 1.78 eV and 1.2 eV for CaCd2P2 and CaCd2As2, respectively, using GGA-TB-mBJ approach. The calculated optical spectra reveal a strong response of these materials in the energy range between the visible light and extreme UV regions, making them a good candidate for optoelectronic devices. Thermoelectric parameters, such as thermal conductivity, electrical conductivity, Seebeck coefficient, power factor and figure of merit were calculated. We note that both the CaCd2P2 and CaCd2As2 compounds show promising thermoelectric properties.

  14. Enhanced thermoelectric figure of merit in strained Tl-doped Bi2Se3

    KAUST Repository

    Saeed, Y.; Singh, Nirpendra; Schwingenschlö gl, Udo

    2014-01-01

    We explain recent experimental findings on Tl-doped Bi2Se3 by determining the electronic and transport properties by first-principles calculations and semi-classical Boltzmann theory. Though Tl-doping introduces a momentum-dependent spin

  15. Effect of high temperature annealing on the thermoelectric properties of GaP doped SiGe

    Science.gov (United States)

    Vandersande, Jan W.; Wood, Charles; Draper, Susan

    1987-01-01

    Silicon-germanium alloys doped with GaP are used for thermoelectric energy conversion in the temperature range 300-1000 C. The conversion efficiency depends on Z = S-squared/rho lambda, a material's parameter (the figure of merit), where S is the Seebeck coefficient, rho is the electrical resistivity and lambda is the thermal conductivity. The annealing of several samples in the temperature range of 1100-1300 C resulted in the power factor P (= S-squared/rho) increasing with increased annealing temperature. This increase in P was due to a decrease in rho which was not completely offset by a drop in S-squared suggesting that other changes besides that in the carrier concentration took place. SEM and EDX analysis of the samples indicated the formation of a Ga-P-Ge rich phase as a result of the annealing. It is speculated that this phase is associated with the improved properties. Several reasons which could account for the improvement in the power factor of annealed GaP doped SiGe are given.

  16. Impact of Interstitial Ni on the Thermoelectric Properties of the Half-Heusler TiNiSn

    Directory of Open Access Journals (Sweden)

    Sonia A. Barczak

    2018-03-01

    Full Text Available TiNiSn is an intensively studied half-Heusler alloy that shows great potential for waste heat recovery. Here, we report on the structures and thermoelectric properties of a series of metal-rich TiNi1+ySn compositions prepared via solid-state reactions and hot pressing. A general relation between the amount of interstitial Ni and lattice parameter is determined from neutron powder diffraction. High-resolution synchrotron X-ray powder diffraction reveals the occurrence of strain broadening upon hot pressing, which is attributed to the metastable arrangement of interstitial Ni. Hall measurements confirm that interstitial Ni causes weak n-type doping and a reduction in carrier mobility, which limits the power factor to 2.5–3 mW m−1 K−2 for these samples. The thermal conductivity was modelled within the Callaway approximation and is quantitively linked to the amount of interstitial Ni, resulting in a predicted value of 12.7 W m−1 K−1 at 323 K for stoichiometric TiNiSn. Interstitial Ni leads to a reduction of the thermal band gap and moves the peak ZT = 0.4 to lower temperatures, thus offering the possibility to engineer a broad ZT plateau. This work adds further insight into the impact of small amounts of interstitial Ni on the thermal and electrical transport of TiNiSn.

  17. Optimizing Thermoelectric Properties of In Situ Plasma-Spray-Synthesized Sub-stoichiometric TiO2-x Deposits

    Science.gov (United States)

    Lee, Hwasoo; Seshadri, Ramachandran Chidambaram; Pala, Zdenek; Sampath, Sanjay

    2018-06-01

    In this article, an attempt has been made to relate the thermoelectric properties of thermal spray deposits of sub-stoichiometric titania to process-induced phase and microstructural variances. The TiO2-x deposits were formed through the in situ reaction of the TiO1.9 or TiO1.7 feedstock within the high-temperature plasma flame and manipulated via varying the amounts of hydrogen fed into in the thermal plasma. Changes in the flow rates of H2 in the plasma plume greatly affected the in-flight particle behavior and composition of the deposits. For reference, a high-velocity oxy-fuel spray torch was also used to deposit the two varieties of feedstocks. Refinements to the representation of the in-flight particle characteristics derived via single particle and ensemble diagnostic methods are proposed using the group parameters (melting index and kinetic energy). The results show that depending on the value of the melting index, there is an inverse proportional relationship between electrical conductivity and Seebeck coefficient, whereas thermal conductivity has a directly proportional relationship with the electrical conductivity. Retention of the original phase and reduced decomposition is beneficial to retain the high Seebeck coefficient or the high electrical conductivity in the TiO2 system.

  18. Preparation and thermoelectric properties of p-Type PrzFe4-xCoxSb12 skutterudites

    International Nuclear Information System (INIS)

    Shin, Dong-Kil; Kim, Il-Ho

    2014-01-01

    p-Type Pr z Fe 4-x Co x Sb 12 (z = 0.8, 1.0 and x = 0, 0.5, 1.0) skutterudites were synthesized by encapsulated melting and annealing and were consolidated with hot pressing. The effects of Pr filling and Co substitution for Fe (charge compensation) on the transport and the thermoelectric properties were examined. A few secondary phases, such as Sb and FeSb 2 , were formed together with the skutterudite phase, but the formation was suppressed with increasing Pr and Co contents. We confirmed that Pr filled in the voids and that Co was substituted for Fe in all specimens because the lattice constant increased with increasing Pr content and decreased with increasing Co content. The electrical conductivity decreased slightly with increasing temperature, showing degenerate semiconductor characteristics. The Hall and the Seebeck coefficients showed positive signs, indicating that the major carriers were holes (p-type conduction). The electrical conductivity and the thermal conductivity were decreased due to a decrease in the carrier concentration with increasing Pr and Co contents. As a result, the dimensionless figure of merit, ZT, was improved by Pr filling and Co substitution, and a maximum ZT = 0.89 was obtained at 723 K for Pr 0.8 Fe 3 CoSb 12 .

  19. Thermoelectric and Structural Properties of Zr-/Hf-Based Half-Heusler Compounds Produced at a Large Scale

    Science.gov (United States)

    Zillmann, D.; Waag, A.; Peiner, E.; Feyand, M.-H.; Wolyniec, A.

    2018-02-01

    The half-Heusler (HH) systems are promising candidates for thermoelectric (TE) applications since they have shown high figures of merit ( zT) of ˜ 1, which are directly related to the energy conversion efficiency. To use HH compounds for TE devices, the materials must be phase-stable at operating temperatures up to 600°C. Currently, only a few HH compositions are available in large quantities. Hence, we focus on the TE and structural properties of three commercially available Zr-/Hf-based HH compounds in this publication. In particular, we evaluate the thermal conductivities and the figures of merit and critically discuss uncertainties and propagation error in the measurements. We find thermal conductivities of less than 6.0 W K^{-1}m^{-1} for all investigated materials and notably high figures of merit of 0.93 and 0.60 for n- and p-type compounds, respectively, at 600°C. Additionally, our investigations reveal that the grain structures of all materials also contain secondary phases like HfO2, Sn-Ni and Ti-Zr-Sn rich phases while an additional SnO_2 phase was found following several hours of harsh heat treatment at 800°C.

  20. A new class of materials with promising thermoelectric properties: MNiSn (M=Ti, Zr, Hf)

    Energy Technology Data Exchange (ETDEWEB)

    Hohl, H; Ramirez, A P; Kaefer, W; Fess, K; Thurner, Ch; Kloc, Ch; Bucher, E

    1997-07-01

    TiNiSn, ZrNiSn and HfNiSn are members of a large group of intermetallic compounds which crystallize in the cubic MgAgAs-type structure. Polycrystalline samples of these compounds have been prepared and investigated for their thermoelectric properties. With thermopowers of about {minus}200 {micro}V/K and resistivities of a few m{Omega}cm, power factors S{sup 2}/{rho} as high as 38 {micro}W/K{sup 2}cm were obtained at 700 K. These remarkably high power factors are, however, accompanied by a thermal conductivity, solid solutions Zr{sub 1{minus}x}Hf{sub x}NiSn, Zr{sub 1{minus}x}Ti{sub x}NiSn, and Hf{prime}{sub 1{minus}x}Ti{sub x}NiSn were formed. The figure of merit of Zr{sub 0.5}Hf{sub 0.5}NiSn at 700 K (ZT = 0.41) exceeds the end members ZrNiSn (ZT = 0.26) and HfNiSn (ZT = 0.22).

  1. Thermoelectric Properties of Cu-doped Bi2-xSbxTe3 Prepared by Encapsulated Melting and Hot Pressing

    Science.gov (United States)

    Jung, Woo-Jin; Kim, Il-Ho

    2018-03-01

    P-type Bi2-xSbxTe3:Cum (x = 1.5-1.7 and m = 0.002-0.003) solid solutions were synthesized using encapsulated melting and were consolidated using hot pressing. The effects of Sb substitution and Cu doping on the charge transport and thermoelectric properties were examined. The lattice constants decreased with increasing Sb and Cu contents. As the amount of Sb substitution and Cu doping was increased, the electrical conductivity increased, and the Seebeck coefficient decreased owing to the increase in the carrier concentration. All specimens exhibited degenerate semiconductor characteristics and positive Hall and Seebeck coefficients, indicating p-type conduction. The increased Sb substitution caused a shift in the onset temperature of the intrinsic transition and bipolar conduction to higher temperatures. The electronic thermal conductivity increased with increasing Sb and Cu contents owing to the increase in the carrier concentration, while the lattice thermal conductivity slightly decreased due to alloy scattering. A maximum figure of merit, ZTmax = 1.25, was achieved at 373 K for Bi0.4Sb1.6Te3:Cu0.003.

  2. New thinking on modeling of thermoelectric devices

    International Nuclear Information System (INIS)

    Zhang, T.

    2016-01-01

    Highlights: • New model was developed for performance calculation of thermoelectric devices. • The model takes into account the temperature-dependent material properties. • It takes into account the spatial-dependent heat flow rate in thermoelement. • It can take into account the heat and electricity losses at the junctions. • It can probe a broad range of parameters for module performance optimization. - Abstract: The performance of a thermoelectric power generation (TEPG) module and a device designed to convert engine exhaust heat directly into electricity was studied under different operating conditions using a proposed thermoelectric (TE) model in this work. The proposed model was obtained from the first law of thermodynamics, Ohm’s law, nonlinear analytical solution of thermoelectric transport equation, and a control volume that represents a typical TEPG module or device such that the temperature-dependent material properties of, the spatial-dependent heat flow rate through the TE element, and the interfacial electrical and thermal losses can be taken into account in the performance calculation. The performance of a typical TEPG module under a broad range of cold-side temperatures and the temperature differences between its hot-side and cold-side was calculated by the proposed model and the results agree very well with the existing model predictions. Comparison between the model predictions and the experimental results confirmed that reducing the interfacial electric resistance can enhance the module performance. The inter-dependence of the key thermal and TEPG system design and optimization parameters was examined for a real TEPG device using the proposed model and an optimal module fill factor of 0.35 was found within the given mass flow rates between 0.0154 and 0.052 kg/s of exhaust stream.

  3. Layered germanium tin antimony tellurides: element distribution, nanostructures and thermoelectric properties.

    Science.gov (United States)

    Welzmiller, Simon; Rosenthal, Tobias; Ganter, Pirmin; Neudert, Lukas; Fahrnbauer, Felix; Urban, Philipp; Stiewe, Christian; de Boor, Johannes; Oeckler, Oliver

    2014-07-21

    In the system Ge-Sn-Sb-Te, there is a complete solid solution series between GeSb2Te4 and SnSb2Te4. As Sn2Sb2Te5 does not exist, Sn can only partially replace Ge in Ge2Sb2Te5; samples with 75% or more Sn are not homogeneous. The joint refinement of high-resolution synchrotron data measured at the K-absorption edges of Sn, Sb and Te combined with data measured at off-edge wavelengths unambiguously yields the element distribution in 21R-Ge(0.6)Sn(0.4)Sb2Te4 and 9P-Ge(1.3)Sn(0.7)Sb2Te5. In both cases, Sb predominantly concentrates on the position near the van der Waals gaps between distorted rocksalt-type slabs whereas Ge prefers the position in the middle of the slabs. No significant antisite disorder is present. Comparable trends can be found in related compounds; they are due to the single-side coordination of the Te atoms at the van der Waals gap, which can be compensated more effectively by Sb(3+) due to its higher charge in comparison to Ge(2+). The structure model of 21R-Ge(0.6)Sn(0.4)Sb2Te4 was confirmed by high-resolution electron microscopy and electron diffraction. In contrast, electron diffraction patterns of 9P-Ge(1.3)Sn(0.7)Sb2Te5 reveal a significant extent of stacking disorder as evidenced by diffuse streaks along the stacking direction. The Seebeck coefficient is unaffected by the Sn substitution but the thermal conductivity drops by a factor of 2 which results in a thermoelectric figure of merit ZT = ~0.25 at 450 °C for both Ge(0.6)Sn(0.4)Sb2Te4 and Ge(1.3)Sn(0.7)Sb2Te5, which is higher than ~0.20 for unsubstituted stable layered Ge-Sb-Te compounds.

  4. Enhancement of thermoelectric power factor of Sr2CoMoO6 double perovskite by annealing in reducing atmosphere

    Science.gov (United States)

    Tanwar, Khagesh; Saxena, Mandvi; Maiti, Tanmoy

    2017-10-01

    In general, n-type thermoelectric materials are rather difficult to design. This study particularly pivoted on designing potential environmentally benign oxides based n-type thermoelectric material. We synthesized Sr2CoMoO6 (SCMO) polycrystalline ceramics via the solid-state synthesis route. XRD, SEM, and thermoelectric measurements were carried out for phase constitution, microstructure analysis, and to determine its potential for thermoelectric applications. As-sintered SCMO sample showed an insulator like behavior till 640 °C after which it exhibited an n-type non-degenerate semiconductor behavior followed by a p-n type conduction switching. To stabilize a high temperature n-type behavior, annealing of SCMO in reducing atmosphere (H2) at 1000 °C was carried out. After annealing, the SCMO demonstrated an n-type semiconductor behavior throughout the temperature range of measurement. The electrical conductivity (σ) and the power factor (S2σ) were found to be increased manifold in the annealed SCMO double perovskite.

  5. Electronic tuning of the transport properties of off-stoichiometric PbxSn1−xTe thermoelectric alloys by Bi2Te3 doping

    International Nuclear Information System (INIS)

    Guttmann, Gilad M.; Dadon, David; Gelbstein, Yaniv

    2015-01-01

    The recent energy demands affected by the dilution of conventional energy resources and the growing awareness of environmental considerations had motivated many researchers to seek for novel renewable energy conversion methods. Thermoelectric direct conversion of thermal into electrical energies is such a method, in which common compositions include IV-VI semiconducting compounds (e.g., PbTe and SnTe) and their alloys. For approaching practical thermoelectric devices, the current research is focused on electronic optimization of off-stoichiometric p-type Pb x Sn 1−x Te alloys by tuning of Bi 2 Te 3 doping and/or SnTe alloying levels, while avoiding the less mechanically favorable Na dopant. It was shown that upon such doping/alloying, higher ZTs, compared to those of previously reported undoped Pb 0.5 Sn 0.5 Te alloy, were obtained at temperatures lower than 210–340 °C, depending of the exact doping/alloying level. It was demonstrated that upon optimal grading of the carrier concentration, a maximal thermoelectric efficiency enhancement of ∼38%, compared to that of an undoped material, is expected

  6. From phase-change materials to thermoelectrics?

    Energy Technology Data Exchange (ETDEWEB)

    Schneider, Matthias N.; Rosenthal, Tobias; Oeckler, Oliver [Dept. of Chemistry, Ludwig Maximilian Univ. Munich (Germany); Stiewe, Christian [German Aerospace Center, Cologne (Germany)

    2010-07-01

    Metastable tellurides play an important role as phase-change materials in data storage media and non-volatile RAM devices. The corresponding crystalline phases with very simple basic structures are not stable as bulk materials at ambient conditions, however, for a broad range of compositions they represent stable high-temperature phases. In the system Ge/Sb/Te, rocksalt-type high-temperature phases are characterized by a large number of vacancies randomly distributed over the cation position, which order as 2D vacancy layers upon cooling. Short-range order in quenched samples produces pronounced nanostructures by the formation of twin domains and finite intersecting vacancy layers. As phase-change materials are usually semimetals or small-bandgap semiconductors and efficient data storage requires low thermal conductivity, bulk materials with similar compositions and properties can be expected to exhibit promising thermoelectric characteristics. Nanostructuring by phase transitions that involve partial vacancy ordering may enhance the efficiency of such thermoelectrics. We have shown that germanium antimony tellurides with compositions close to those used as phase-change materials in rewritable Blu-Ray Discs, e.g. (GeTe){sub 12}Sb{sub 2}Te{sub 3}, exhibit thermoelectric figures of merit of up to ZT = 1.3 at 450 C if a nanodomain structure is induced by rapidly quenching the cubic high-temperature phase. Structural changes have been elucidated by X-ray diffraction and high-resolution electron microscopy. (orig.)

  7. Thermoelectric properties of Sr0.61Ba0.39Nb2O6-δ ceramics in different oxygen-reduction conditions

    Science.gov (United States)

    Li, Yi; Liu, Jian; Wang, Chun-Lei; Su, Wen-Bin; Zhu, Yuan-Hu; Li, Ji-Chao; Mei, Liang-Mo

    2015-04-01

    The thermoelectric properties of Sr0.61Ba0.39Nb2O6-δ ceramics, reduced in different conditions, are investigated in the temperature range from 323 K to 1073 K. The electrical transport behaviors of the samples are dominated by the thermal-activated polaron hopping in the low temperature range, the Fermi glass behavior in the middle temperature range, and the Anderson localized behavior in the high temperature range. The thermal conductivity presents a plateau at high-temperatures, indicating a glass-like thermal conduction behavior. Both the thermoelectric power factor and the thermal conductivity increase with the increase of the degree of oxygen-reduction. Taking these two factors into account, the oxygen-reduction can still contribute to promoting the thermoelectric figure of merit. The highest ZT value is obtained to be ˜0.19 at 1073 K in the heaviest oxygen reduced sample. Project supported by the National Basic Research Program of China (Grant No. 2013CB632506) and the National Natural Science Foundation of China (Grant Nos. 51202132 and 51002087).

  8. General Approach for Composite Thermoelectric Systems with Thermal Coupling: The Case of a Dual Thermoelectric Cooler

    Directory of Open Access Journals (Sweden)

    Cuautli Yanehowi Flores-Niño

    2015-06-01

    Full Text Available In this work, we show a general approach for inhomogeneous composite thermoelectric systems, and as an illustrative case, we consider a dual thermoelectric cooler. This composite cooler consists of two thermoelectric modules (TEMs connected thermally in parallel and electrically in series. Each TEM has different thermoelectric (TE properties, namely thermal conductance, electrical resistance and the Seebeck coefficient. The system is coupled by thermal conductances to heat reservoirs. The proposed approach consists of derivation of the dimensionless thermoelectric properties for the whole system. Thus, we obtain an equivalent figure of merit whose impact and meaning is discussed. We make use of dimensionless equations to study the impact of the thermal conductance matching on the cooling capacity and the coefficient of the performance of the system. The equivalent thermoelectric properties derived with our formalism include the external conductances and all intrinsic thermoelectric properties of each component of the system. Our proposed approach permits us changing the thermoelectric parameters of the TEMs and the working conditions of the composite system. Furthermore, our analysis shows the effect of the number of thermocouples on the system. These considerations are very useful for the design of thermoelectric composite systems. We reproduce the qualitative behavior of a commercial composite TEM connected electrically in series.

  9. Fine Art of Thermoelectricity.

    Science.gov (United States)

    Brus, Viktor V; Gluba, Marc; Rappich, Jörg; Lang, Felix; Maryanchuk, Pavlo D; Nickel, Norbert H

    2018-02-07

    A detailed study of hitherto unknown electrical and thermoelectric properties of graphite pencil traces on paper was carried out by measuring the Hall and Seebeck effects. We show that the combination of pencil-drawn graphite and brush-painted poly(3,4-ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS) films on regular office paper results in extremely simple, low-cost, and environmentally friendly thermoelectric power generators with promising output characteristics at low-temperature gradients. The working characteristics can be improved even further by incorporating n-type InSe flakes. The combination of pencil-drawn n-InSe:graphite nanocomposites and brush-painted PEDOT:PSS increases the power output by 1 order of magnitude.

  10. Sb{sub 2}Te{sub 3} nanobelts and nanosheets: Hydrothermal synthesis, morphology evolution and thermoelectric properties

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Guo-Hui [State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Zhu, Ying-Jie, E-mail: y.j.zhu@mail.sic.ac.cn [State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Cheng, Guo-Feng; Ruan, Yin-Jie [State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China)

    2013-02-15

    Graphical abstract: Sb{sub 2}Te{sub 3} nanobelts and nanosheets were synthesized by a hydrothermal method, and the morphology evolution from Sb{sub 2}Te{sub 3} nanobelts to nanosheets with the prolonging hydrothermal time was observed. Highlights: Black-Right-Pointing-Pointer Hydrothermal synthesis of Sb{sub 2}Te{sub 3} nanobelts and nanosheets is demonstrated. Black-Right-Pointing-Pointer The morphology of Sb{sub 2}Te{sub 3} can be adjusted by varying hydrothermal time. Black-Right-Pointing-Pointer The morphology evolution of Sb{sub 2}Te{sub 3} from nanobelts to nanosheets is observed. Black-Right-Pointing-Pointer High Seebeck coefficients (S) of Sb{sub 2}Te{sub 3} nanobelts and nanosheets are attained. - Abstract: Sb{sub 2}Te{sub 3} nanobelts and nanosheets were synthesized by a hydrothermal method using SbCl{sub 3} and TeO{sub 2} as the antimony and tellurium source, hydrazine hydrate as a reducing reagent, polyvinyl alcohol as a surfactant and water as the solvent. The effects of experimental parameters on the product were investigated. The experiments indicated that the elemental Te formed during the reaction, acting as a reactive and self-sacrificial template for the formation of Sb{sub 2}Te{sub 3} nanobelts. The morphology evolution from Sb{sub 2}Te{sub 3} nanobelts to nanosheets with the prolonging hydrothermal time was observed. The products were characterized by X-ray powder diffraction (XRD), transmission electron microscopy (TEM), energy dispersive spectroscopy (EDS), selected area electron diffraction (SAED), Fourier transform infrared (FTIR) spectroscopy and differential scanning calorimetry (DSC). The thermoelectric properties of the tablet samples of Sb{sub 2}Te{sub 3} nanostructured powders with different morphologies prepared by a room-temperature pressurized method were investigated.

  11. Measurement of the thermoelectric properties of quasicrystalline AlPdRe and AlCuFe alloys

    Energy Technology Data Exchange (ETDEWEB)

    Wilson, M L; LeGault, S; Stroud, R M; Tritt, T M

    1997-07-01

    The authors report the measurement of the thermal conductivity, electrical resistivity, and thermoelectric power on two quasicrystalline compounds, Al{sub 70}Pd{sub 20}Re{sub 10} and Al{sub 62.5}Cu{sub 25}Fe{sub 12.5}. These materials are found to possess a thermal conductivity of order 1 W/m{center{underscore}dot}K, while retaining their semimetallic conductivity. These features coupled with moderately large thermopowers, up to 55 {micro}V/K, imply that the general class of quasicrystalline compounds warrants careful investigation for their potential as new thermoelectric materials.

  12. Thermoelectric properties of fine-grained FeVSb half-Heusler alloys tuned to p-type by substituting vanadium with titanium

    International Nuclear Information System (INIS)

    Zou, Minmin; Li, Jing-Feng; Kita, Takuji

    2013-01-01

    Fine-grained Ti-doped FeVSb half-Heusler alloys were synthesized by combining mechanical alloying and spark plasma sintering and their thermoelectric properties were investigated with an emphasis on the influences of Ti doping and phase purity. It was found that substituting V with Ti can change the electrical transport behavior from n-type to p-type due to one less valence electron of Ti than V, and the sample with nominal composition FeV 0.8 Ti 0.4 Sb exhibits the largest Seebeck coefficient and the maximum power factor. By optimizing the sintering temperature and applying annealing treatment, the power factor is significantly improved and the thermal conductivity is reduced simultaneously, resulting in a ZT value of 0.43 at 500 °C, which is relatively high as for p-type half-Heusler alloys containing earth-abundant elements. - Graphical abstract: Fine-grained Ti-doped FeVSb alloys were prepared by the MA-SPS method. The maximum ZT value reaches 0.43 at 500 °C, which is relatively high for p-type half-Heusler alloys. Highlights: ► Ti-doped FeVSb half-Heusler alloys were synthesized by combining MA and SPS. ► Substituting V with Ti changes the electrical behavior from n-type to p-type. ► Thermoelectric properties are improved by optimizing sintering temperature. ► Thermoelectric properties are further improved by applying annealing treatment. ► A high ZT value of 0.43 is obtained at 500 °C for p-type Ti-doped FeVSb alloys.

  13. Enhancing the nonlinear thermoelectric response of a correlated quantum dot in the Kondo regime by asymmetrical coupling to the leads

    Science.gov (United States)

    Pérez Daroca, Diego; Roura-Bas, Pablo; Aligia, Armando A.

    2018-04-01

    We study the low-temperature properties of the differential response of the current to a temperature gradient at finite voltage in a single-level quantum dot including electron-electron interaction, nonsymmetric couplings to the leads, and nonlinear effects. The calculated response is significantly enhanced in setups with large asymmetries between the tunnel couplings. In the investigated range of voltages and temperatures with corresponding energies up to several times the Kondo energy scale, the maximum response is enhanced nearly an order of magnitude with respect to symmetric coupling to the leads.

  14. The effect of electron and hole doping on the thermoelectric properties of shandite-type Co3Sn2S2

    OpenAIRE

    Mangelis, Panagiotis; Vaqueiro, Paz; Jumas, Jean-Claude; da Silva, Ivan; Smith, Ronald I; Powell, Anthony V

    2017-01-01

    Electron and hole doping in Co3Sn2S2, through chemical substitution of cobalt by the neighbouring elements, nickel and iron, affects both the structure and thermoelectric properties. Electron doping to form Co3-xNixSn2S2 (0 ≤ x ≤ 3) results in an expansion of the kagome layer and materials become increasingly metallic as cobalt is substituted. Conversely, hole doping in Co3-xFexSn2S2 (0 ≤ x ≤ 0.6) leads to a transition from metallic to n-type semiconducting behaviour at x = 0.5. Iron substitu...

  15. The effect of simultaneous substitution on the electronic band structure and thermoelectric properties of Se-doped Co3SnInS2 with the Kagome lattice

    OpenAIRE

    Fujioka, Masaya; Shibuya, Taizo; Nakai, Junya; Yoshiyasu, Keigo; Sakai, Yuki; Takano, Yoshihiko; Kamihara, Yoichi; Matoba, Masanori

    2012-01-01

    The thermoelectric properties and electronic band structures for Se-doped Co3SnInS2 were examined. The parent compound of this material (Co3Sn2S2) has two kinds of Sn sites (Sn1 and Sn2 sites). The density functional theory (DFT) calculations show that the indium substitution at the Sn2 site induces a metallic band structure, on the other hand, a semiconducting band structure is obtained from substitution at the Sn1 site. However, according to the previous reports, since the indium atom prefe...

  16. Spin thermoelectric effects in organic single-molecule devices

    Energy Technology Data Exchange (ETDEWEB)

    Wang, H.L.; Wang, M.X.; Qian, C.; Hong, X.K.; Zhang, D.B.; Liu, Y.S.; Yang, X.F., E-mail: xfyang@cslg.edu.cn

    2017-05-25

    Highlights: • A stronger spin thermoelectric performance in a polyacetylene device is observed. • For the antiferromagnetic (AFM) ordering, a transport gap is opened. Thus the thermoelectric effects are largely enhanced. - Abstract: The spin thermoelectric performance of a polyacetylene chain bridging two zigzag graphene nanoribbons (ZGNRs) is investigated based on first principles method. Two different edge spin arrangements in ZGNRs are considered. For ferromagnetic (FM) ordering, transmission eigenstates with different spin indices distributed below and above Fermi level are observed, leading directly to a strong spin thermoelectric effect in a wide temperature range. With the edge spins arranged in the antiferromagnetic (AFM) ordering, an obvious transport gap appears in the system, which greatly enhances the thermoelectric effects. The presence of a small spin splitting also induces a spin thermoelectric effect greater than the charge thermoelectric effect in certain temperature range. In general, the single-molecule junction exhibits the potential to be used for the design of perfect thermospin devices.

  17. Tuning the thermoelectric properties by manipulating copper in Cu2SnSe3 system

    DEFF Research Database (Denmark)

    Prasad K, Shyam; Rao, Ashok; Christopher, Benedict

    2018-01-01

    Cu2+xSnSe3 (0 ≤ x ≤ 0.08) compounds were synthesized by conventional solid-state reaction followed by spark plasma sintering (SPS) technique. Transport properties of the samples were measured as a function of temperature in the temperature range 323–773 K. As compared to Cu2SnSe3 sample, the elec......Cu2+xSnSe3 (0 ≤ x ≤ 0.08) compounds were synthesized by conventional solid-state reaction followed by spark plasma sintering (SPS) technique. Transport properties of the samples were measured as a function of temperature in the temperature range 323–773 K. As compared to Cu2SnSe3 sample...

  18. LDA + U calculation of electronic and thermoelectric properties of doped CuCoO.sub.2./sub..

    Czech Academy of Sciences Publication Activity Database

    Knížek, Karel

    2015-01-01

    Roč. 91, č. 7 (2015), "075125-1"-"075125-8" ISSN 1098-0121 R&D Projects: GA ČR GA13-03708S Institutional support: RVO:68378271 Keywords : density functional theory * local density approximation * gradient and other corrections * thermoelectric and thermomagnetic effects Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

  19. Effect of Sb content on the thermoelectric properties of annealed CoSb{sub 3} thin films deposited via RF co-sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Ahmed, Aziz, E-mail: aziz_ahmed@ust.ac.kr [Department of Nano-Mechatronics, Korea University of Science and Technology (UST), 217 Gajeong-ro, Yuseong-gu, Daejeon, 305-350 (Korea, Republic of); Department of Nano-Mechanics, Korea Institute of Machinery and Materials (KIMM), 156 Gajeongbuk-ro, Yuseong-gu, Daejeon, 305-343 (Korea, Republic of); Han, Seungwoo, E-mail: swhan@kimm.re.kr [Department of Nano-Mechatronics, Korea University of Science and Technology (UST), 217 Gajeong-ro, Yuseong-gu, Daejeon, 305-350 (Korea, Republic of); Department of Nano-Mechanics, Korea Institute of Machinery and Materials (KIMM), 156 Gajeongbuk-ro, Yuseong-gu, Daejeon, 305-343 (Korea, Republic of)

    2017-06-30

    Graphical abstract: The X-ray diffraction patterns and temperature dependence of the Seebeck coefficient of the annealed Co–Sb thin films. - Highlights: • CoSb{sub 3} phase thin films were prepared using RF co sputtering method. • Thin film thermoelectric properties were hugely dependent on Sb content. • All thin films shows n-type conduction behavior at high temperatures. • The thin films with excess Sb possess the largest Seebeck coefficient. • The thin films with CoSb{sub 2} phase possess the largest power factor. - Abstract: A series of CoSb{sub 3} thin films with Sb contents in the range 70–79 at.% were deposited at room temperature via RF co-sputtering. The thin films were amorphous in the as-deposited state and annealed at 300 °C for 3 h to obtain crystalline samples. The annealed thin films were characterized using scanning electron microscopy and X-ray diffraction (XRD), and these data indicate that the films exhibited good crystallinity. The XRD patterns indicate single-phase CoSb{sub 3} thin films in the Sb-rich samples. For the Sb-deficient samples, however, mixed-phase thin films consisting of CoSb{sub 2} and CoSb{sub 3} components were obtained. The electrical and thermoelectric properties were measured at temperatures up to 760 K and found to be highly sensitive to the phases that were present. We observed a change in the thermoelectric properties of the films from p-type at low temperatures to n-type at high temperatures, which indicates potential applications as n-type thermoelectric thin films. A large Seebeck coefficient and power factor was obtained for the single-phase CoSb{sub 3} thin films. The CoSb{sub 2} phase thin films were also found to possess a significant Seebeck coefficient, which coupled with the much smaller electrical resistivity, provided a larger power factor than the single-phase CoSb{sub 3} thin films. We report maximum power factor of 7.92 mW/m K{sup 2} for the CoSb{sub 2}-containing mixed phase thin film and 1

  20. Effect of Sb content on the thermoelectric properties of annealed CoSb_3 thin films deposited via RF co-sputtering

    International Nuclear Information System (INIS)

    Ahmed, Aziz; Han, Seungwoo

    2017-01-01

    Graphical abstract: The X-ray diffraction patterns and temperature dependence of the Seebeck coefficient of the annealed Co–Sb thin films. - Highlights: • CoSb_3 phase thin films were prepared using RF co sputtering method. • Thin film thermoelectric properties were hugely dependent on Sb content. • All thin films shows n-type conduction behavior at high temperatures. • The thin films with excess Sb possess the largest Seebeck coefficient. • The thin films with CoSb_2 phase possess the largest power factor. - Abstract: A series of CoSb_3 thin films with Sb contents in the range 70–79 at.% were deposited at room temperature via RF co-sputtering. The thin films were amorphous in the as-deposited state and annealed at 300 °C for 3 h to obtain crystalline samples. The annealed thin films were characterized using scanning electron microscopy and X-ray diffraction (XRD), and these data indicate that the films exhibited good crystallinity. The XRD patterns indicate single-phase CoSb_3 thin films in the Sb-rich samples. For the Sb-deficient samples, however, mixed-phase thin films consisting of CoSb_2 and CoSb_3 components were obtained. The electrical and thermoelectric properties were measured at temperatures up to 760 K and found to be highly sensitive to the phases that were present. We observed a change in the thermoelectric properties of the films from p-type at low temperatures to n-type at high temperatures, which indicates potential applications as n-type thermoelectric thin films. A large Seebeck coefficient and power factor was obtained for the single-phase CoSb_3 thin films. The CoSb_2 phase thin films were also found to possess a significant Seebeck coefficient, which coupled with the much smaller electrical resistivity, provided a larger power factor than the single-phase CoSb_3 thin films. We report maximum power factor of 7.92 mW/m K"2 for the CoSb_2-containing mixed phase thin film and 1.26 mW/m K"2 for the stoichiometric CoSb_3 thin film.

  1. NANOSTRUCTURING AS A WAY FOR THERMOELECTRIC EFFICIENCY IMPROVEMENT

    Directory of Open Access Journals (Sweden)

    L. V. Bochkov

    2014-07-01

    Full Text Available The urgency of thermoelectric energy conversion is proved. Perspectives of nanostructures usage as thermoelectric materials are shown. The authors have systematized and generalized the methods and investigation results of bulk nanostructure thermoelectrics based on Bi-Sb-Te solid solutions. Ways of nanoparticles fabrication and their subsequent sintering into a bulk sample, results of structure study of the received materials are shown by methods of electronic microscopy and X-ray spectroscopy, results of mechanical properties investigation. Methods of manufacturing suggested with the authors’ participation and properties of thermoelectric nanocomposites, fabricated with addition of fullerene, thermally split graphite, graphene and molybdenum disulphide are discussed. Methods for prevention of recrystallization, measurement methods of thermoelectric properties of studied nanothermoelectrics are considered, including electric and thermal conductivities, thermoemf and the figure of merit. Factors that influence on thermoelectric figure of merit, including the tunneling of carriers through interfaces between nanograins, the additional phonon scattering on nanograin borders and the energy filtration of carriers through barriers have been theoretically investigated. Mechanisms and ways for improvement of the figure of merit are determined. Experimental confirmation for thermoelectric figure of merit increase is received. Physical mechanisms of thermoelectric figure of merit increase are shown by perceptivity of nanostructures utilization. The growth of thermoelectric figure of merit means an expansion of areas for rational application of thermoelectric energy generation and thermoelectric cooling.

  2. High efficiency semimetal/semiconductor nanocomposite thermoelectric materials

    International Nuclear Information System (INIS)

    Zide, J. M. O.; Bahk, J.-H.; Zeng, G.; Bowers, J. E.; Singh, R.; Zebarjadi, M.; Bian, Z. X.; Shakouri, A.; Lu, H.; Gossard, A. C.; Feser, J. P.; Xu, D.; Singer, S. L.; Majumdar, A.

    2010-01-01

    Rare-earth impurities in III-V semiconductors are known to self-assemble into semimetallic nanoparticles which have been shown to reduce lattice thermal conductivity without harming electronic properties. Here, we show that adjusting the band alignment between ErAs and In 0.53 Ga 0.47-X Al X As allows energy-dependent scattering of carriers that can be used to increase thermoelectric power factor. Films of various Al concentrations were grown by molecular beam epitaxy, and thermoelectric properties were characterized. We observe concurrent increases in electrical conductivity and Seebeck coefficient with increasing temperatures, demonstrating energy-dependent scattering. We report the first simultaneous power factor enhancement and thermal conductivity reduction in a nanoparticle-based system, resulting in a high figure of merit, ZT=1.33 at 800 K.

  3. Enhancing the magnetic properties of magnetic nanoparticles

    DEFF Research Database (Denmark)

    Ahlburg, Jakob; Saura-Múzquiz, Matilde; Stingaciu, Marian

    with a similar magnetic performance. There are several different ways of enhancing magnetic properties of 3d magnetic compounds. This includes, size control, core-shell particles or mixing hard and soft magnetic materials together to achieve an exchange coupling between the compounds and enhancing the magnetic...... energy product. In order to control the particle size, a hydrothermal synthesis is preferred. This followed by reduction or the oxides into either core shell particles, or a mixture of magnetic oxides and a metallic phase....

  4. Synthesis, characterization and thermoelectric properties of metal borides, boron carbides and carbaborides; Synthese, Charakterisierung und thermoelektrische Eigenschaften ausgewaehlter Metallboride, Borcarbide und Carbaboride

    Energy Technology Data Exchange (ETDEWEB)

    Guersoy, Murat

    2015-07-06

    This work reports on the solid state synthesis and structural and thermoelectrical characterization of hexaborides (CaB{sub 6}, SrB{sub 6}, BaB{sub 6}, EuB{sub 6}), diboride dicarbides (CeB{sub 2}C{sub 2}, LaB{sub 2}C{sub 2}), a carbaboride (NaB{sub 5}C) and composites of boron carbide. The characterization was performed by X-ray diffraction methods and Rietveld refinements based on structure models from literature. Most of the compounds were densified by spark plasma sintering at 100 MPa. As high-temperature thermoelectric properties the Seebeck coefficients, electrical conductivities, thermal diffusivities and heat capacities were measured between room temperature and 1073 K. ZT values as high as 0.5 at 1273 K were obtained for n-type conducting EuB{sub 6}. High-temperature X-ray diffraction also confirmed its thermal stability. The solid solutions Ca{sub x}Sr{sub 1-x}B{sub 6}, Ca{sub x}Ba{sub 1-x}B{sub 6} and Sr{sub x}Ba{sub 1-x}B{sub 6} (x = 0, 0.25, 0.5, 0.75, 1) are also n-type but did not show better ZT values for the ternary compounds compared to the binaries, but for CaB{sub 6} the values of the figure of merit (ca. 0.3 at 1073 K) were significantly increased (ca. 50 %) compared to earlier investigations which is attributed to the densification process. Sodium carbaboride, NaB{sub 5}C, was found to be the first p-type thermoelectric material that crystallizes with the hexaboride-structure type. Seebeck coefficients of ca. 80 μV . K{sup -1} were obtained. Cerium diboride dicarbide, CeB{sub 2}C{sub 2}, and lanthanum diboride dicarbide, LaB{sub 2}C{sub 2}, are metallic. Both compounds were used as model compounds to develop compacting strategies for such layered borides. Densities obtained at 50 MPa were determined to be higher than 90 %. A new synthesis route using single source precursors that contain boron and carbon was developed to open the access to new metal-doped boron carbides. It was possible to obtain boron carbide, but metal-doping could not be

  5. Thermoelectric Characterization of Electronic Properties of GaMnAs Nanowires

    Directory of Open Access Journals (Sweden)

    Phillip M. Wu

    2012-01-01

    Full Text Available Nanowires with magnetic doping centers are an exciting candidate for the study of spin physics and proof-of-principle spintronics devices. The required heavy doping can be expected to have a significant impact on the nanowires' electron transport properties. Here, we use thermopower and conductance measurements for transport characterization of Ga0.95Mn0.05As nanowires over a broad temperature range. We determine the carrier type (holes and concentration and find a sharp increase of the thermopower below temperatures of 120 K that can be qualitatively described by a hopping conduction model. However, the unusually large thermopower suggests that additional mechanisms must be considered as well.

  6. Low-temperature thermoelectric properties of Pb doped Cu2SnSe3

    Science.gov (United States)

    Prasad K, Shyam; Rao, Ashok; Gahtori, Bhasker; Bathula, Sivaiah; Dhar, Ajay; Chang, Chia-Chi; Kuo, Yung-Kang

    2017-09-01

    A series of Cu2Sn1-xPbxSe3 (0 ≤ x ≤ 0.04) compounds was prepared by solid state synthesis technique. The electrical resistivity (ρ) decreased with increase in Pb content up to x = 0.01, thereafter it increased with further increase in x (till x = 0.03). However, the lowest value of electrical resistivity is observed for Cu2Sn0.96Pb0.04Se3. Analysis of electrical resistivity of all the samples suggests that small poloron hoping model is operative in the high temperature regime while variable range hopping is effective in the low temperature regime. The positive Seebeck coefficient (S) for pristine and doped samples in the entire temperature range indicates that the majority charge carriers are holes. The electronic thermal conductivity (κe) of the Cu2Sn1-xPbxSe3 compounds was estimated by the Wiedemann-Franz law and found that the contribution from κe is less than 1% of the total thermal conductivity (κ). The highest ZT 0.013 was achieved at 400 K for the sample Cu2Sn0.98Pb0.02Se3, about 30% enhancement as compared to the pristine sample.

  7. Control of p-type and n-type thermoelectric properties of bismuth telluride thin films by combinatorial sputter coating technology

    International Nuclear Information System (INIS)

    Goto, Masahiro; Sasaki, Michiko; Xu, Yibin; Zhan, Tianzhuo; Isoda, Yukihiro; Shinohara, Yoshikazu

    2017-01-01

    Highlights: • p- and n-type bismuth telluride thin films have been synthesized using a combinatorial sputter coating system (COSCOS) while changing only one of the experimental conditions, the RF power. • The dimensionless figure of merit (ZT) was optimized by the technique. • The fabrication of a Π-structured TE device was demonstrated. - Abstract: p- and n-type bismuth telluride thin films have been synthesized by using a combinatorial sputter coating system (COSCOS). The crystal structure and crystal preferred orientation of the thin films were changed by controlling the coating condition of the radio frequency (RF) power during the sputter coating. As a result, the p- and n-type films and their dimensionless figure of merit (ZT) were optimized by the technique. The properties of the thin films such as the crystal structure, crystal preferred orientation, material composition and surface morphology were analyzed by X-ray diffraction, energy-dispersive X-ray spectroscopy and atomic force microscopy. Also, the thermoelectric properties of the Seebeck coefficient, electrical conductivity and thermal conductivity were measured. ZT for n- and p-type bismuth telluride thin films was found to be 0.27 and 0.40 at RF powers of 90 and 120 W, respectively. The proposed technology can be used to fabricate thermoelectric p–n modules of bismuth telluride without any doping process.

  8. High-pressure densified solid solutions of alkaline earth hexaborides (Ca/Sr, Ca/Ba, Sr/Ba) and their high-temperature thermoelectric properties

    International Nuclear Information System (INIS)

    Gürsoy, M.; Takeda, M.; Albert, B.

    2015-01-01

    Solid solutions of alkaline earth hexaborides were synthesized and densified by spark plasma sintering at 100 MPa. The high-temperature thermoelectric properties (Seebeck coefficients, electrical and thermal diffusivities, heat capacities) were measured between room temperature and 1073 K. CaB 6 , SrB 6 , BaB 6 and the ternary hexaborides Ca x Sr 1−x B 6 , Ca x Ba 1−x B 6 , Sr x Ba 1−x B 6 (x = 0.25, 0.5, 0.75) are n-type conducting compounds over the whole compositional and thermal ranges. The values of the figure of merit ZT for CaB 6 (ca. 0.3 at 1073 K) were found to be significantly increased compared to earlier investigations which is attributed to the densification process. - Highlights: • Solid solutions of alkaline earth hexaborides were synthesized. • High-temperature thermoelectric properties of mixed calcium borides are excellent. • Spark plasma source densification results in high ZT values. • Borides are rare-earth free and refractory materials

  9. Effect of high pressure sintering and annealing on microstructure and thermoelectric properties of nanocrystalline Bi2Te2.7Se0.3 doped with Gd

    Institute of Scientific and Technical Information of China (English)

    Ping Zou; Guiying Xun; Song Wang; Penglei Chen; Fengzhu Huang

    2014-01-01

    Bi2Te2.7Se0.3 of high performance doped with Gd bulk materials was prepared by a high pressure (6.0 GPa) sintering (HPS) method at 593 K, 633 K, 673 K and 693 K. The sample was then annealed for 36 h in a vacuum at 633 K. The phase composition, crystal structure and morphology of the sample were analyzed by X-ray diffraction and scanning electron microscopy. The electric conductivity, Seebeck coefficient, and thermal conductivity aspects of the sample were measured from 298 K to 473 K. The results show that high pressure sintering and the doping with Gd has a great effect on the crystal structure and the thermoelectric properties of the samples. The samples are consisted of nanoparticles before and after annealing, and these nanostructures have good stability at high temperature. HPS together with annealing can improve the TE properties of the sample by decreasing the thermal conductivity of the sample with nanostructures. The maximum ZT value of 0.74 was obtained at 423 K for the sample, which was sintered at 673 K and then annealed at 633 K for 36 h. Compared with the zone melting sample, it was increased by 85%at 423 K. Hence the temperature of the maximum of figure of merit was increased. The results can be applied to the field of thermoelectric power generation materials.

  10. FP-LAPW calculations of the elastic, electronic and thermoelectric properties of the filled skutterudite CeRu{sub 4}Sb{sub 12}

    Energy Technology Data Exchange (ETDEWEB)

    Shankar, A., E-mail: amitshan2009@gmail.com [Condensed Matter Theory Group, Department of Physics, Mizoram University, 796004 (India); Rai, D.P. [Department of Physics, Pachhunga University College, Aizawl 796001 (India); Chettri, Sandeep [Condensed Matter Theory Group, Department of Physics, Mizoram University, 796004 (India); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, 29000 (Algeria); Thapa, R.K. [Condensed Matter Theory Group, Department of Physics, Mizoram University, 796004 (India)

    2016-08-15

    We have investigated the electronic structure, elastic and thermoelectric properties of the filled skutterudite CeRu{sub 4}Sb{sub 12} using the density functional theory (DFT). The full potential linearized augmented plane wave (FP-LAPW) method within a framework of the generalized gradient approximation (GGA) approach is used to perform the calculations presented here. The electronic structure calculation suggests an indirect band gap semiconducting nature of the material with energy band gap of 0.08 eV. The analysis of the elastic constants at relaxed positions reveals the ductile nature of the sample material with covalent contribution in the inter-atomic bonding. The narrow band gap semiconducting nature with high value of Seebeck coefficient suggests the possibility of the thermoelectric application of the material. The analysis of the thermal transport properties confirms the result obtained from the energy band structure of the material with high thermopower and dimensionless figure of merit 0.19 at room temperature.

  11. Control of p-type and n-type thermoelectric properties of bismuth telluride thin films by combinatorial sputter coating technology

    Energy Technology Data Exchange (ETDEWEB)

    Goto, Masahiro, E-mail: goto.masahiro@nims.go.jp [Thermoelectric Materials Group, Center for Green Research on Energy and Environmental Materials, National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Thermal Management and Thermoelectric Materials Group, Center for Materials Research by Information Integration (CMI2), National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Sasaki, Michiko [Thermal Management and Thermoelectric Materials Group, Center for Materials Research by Information Integration (CMI2), National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Xu, Yibin [Thermal Management and Thermoelectric Materials Group, Center for Materials Research by Information Integration (CMI2), National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Materials Database Group, Center for Materials Research by Information Integration (CMI2), National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Zhan, Tianzhuo [Thermal Management and Thermoelectric Materials Group, Center for Materials Research by Information Integration (CMI2), National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Isoda, Yukihiro [Thermoelectric Materials Group, Center for Green Research on Energy and Environmental Materials, National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Shinohara, Yoshikazu [Thermoelectric Materials Group, Center for Green Research on Energy and Environmental Materials, National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Thermal Management and Thermoelectric Materials Group, Center for Materials Research by Information Integration (CMI2), National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan)

    2017-06-15

    Highlights: • p- and n-type bismuth telluride thin films have been synthesized using a combinatorial sputter coating system (COSCOS) while changing only one of the experimental conditions, the RF power. • The dimensionless figure of merit (ZT) was optimized by the technique. • The fabrication of a Π-structured TE device was demonstrated. - Abstract: p- and n-type bismuth telluride thin films have been synthesized by using a combinatorial sputter coating system (COSCOS). The crystal structure and crystal preferred orientation of the thin films were changed by controlling the coating condition of the radio frequency (RF) power during the sputter coating. As a result, the p- and n-type films and their dimensionless figure of merit (ZT) were optimized by the technique. The properties of the thin films such as the crystal structure, crystal preferred orientation, material composition and surface morphology were analyzed by X-ray diffraction, energy-dispersive X-ray spectroscopy and atomic force microscopy. Also, the thermoelectric properties of the Seebeck coefficient, electrical conductivity and thermal conductivity were measured. ZT for n- and p-type bismuth telluride thin films was found to be 0.27 and 0.40 at RF powers of 90 and 120 W, respectively. The proposed technology can be used to fabricate thermoelectric p–n modules of bismuth telluride without any doping process.

  12. The Influence of α- and γ-Al2O3 Phases on the Thermoelectric Properties of Al-doped ZnO

    DEFF Research Database (Denmark)

    Han, Li; Van Nong, Ngo; Le, Thanh Hung

    2013-01-01

    A systematic investigation on the microstructure and thermoelectric properties of Al-doped ZnO using α- and γ-Al2O3 as dopants was conducted in order to understand the doping effect and its mechanism. The samples were prepared by the spark plasma sintering technique from precursors calcined...... at various temperatures. Clear differences in microstructure and thermoelectric properties were observed between the samples doped with α- and γ-Al2O3. At any given calcination temperature, γ-Al2O3 resulted in the formation of a larger amount of the ZnAl2O4 phase in the Al-doped ZnO samples. The average...... grain size was found to be smaller for the γ-Al2O3-doped samples than that for the α-Al2O3-doped ones under the same sintering condition. It is proposed that the ZnAl2O4 phase is the reason for the observed suppression of grain growth and also for the slightly reduced lattice thermal conductivity...

  13. Thermoelectric Properties of Cu-Doped n-Type Bi2Te2.85Se0.15 Prepared by Liquid Phase Growth Using a Sliding Boat

    Science.gov (United States)

    Kitagawa, Hiroyuki; Matsuura, Tsukasa; Kato, Toshihito; Kamata, Kin-ya

    2015-06-01

    N-type Bi2Te2.85Se0.15 thermoelectric materials were prepared by liquid phase growth (LPG) using a sliding boat, a simple and short fabrication process for Bi2Te3-related materials. Cu was selected as a donor dopant, and its effect on thermoelectric properties was investigated. Thick sheets and bars of Cu x Bi2 Te2.85Se0.15 ( x=0-0.25) of 1-2mm in thickness were obtained using the process. X-ray diffraction patterns and scanning electron micrographs showed that the in-plane direction tended to correspond to the hexagonal c-plane, which is the preferred direction for thermoelectric conversion. Cu-doping was effective in controlling conduction type and carrier (electron) concentration. The conduction type was p-type for undoped Bi2Te2.85Se0.15 and became n-type after Cu-doping. The Hall carrier concentration was increased by Cu-doping. Small resistivity was achieved in Cu0.02Bi2Te2.85Se0.15 owing to an optimized amount of Cu-doping and high crystal orientation. As a result, the maximum power factor near 310K for Cu0.02Bi2Te2.85Se0.15 was approximately 4×10-3W/K2m and had good reproducibility. Furthermore, the thermal stability of Cu0.02Bi2Te2.85Se0.15 was also confirmed by thermal cycling measurements of electrical resistivity. Thus, n-type Bi2Te2.85Se0.15 with a large power factor was prepared using the present LPG process.

  14. Superlattices in thermoelectric applications

    International Nuclear Information System (INIS)

    Sofo, J.O.; Mahan, G.D.; Tennessee Univ., Knoxville, TN

    1994-08-01

    The electrical conductivity, thermopower and the electronic contribution to the thermal conductivity of a superlattice, are calculated with the electric field and the thermal gradient applied parallel to the interfaces. Tunneling between quantum wells is included. The broadening of the lowest subband when the period of the superlattice is decreased produces a reduction of the thermoelectric figure of merit. However, we found that a moderate increase of the figure of merit may be expected for intermediate values of the period, due to the enhancement of the density of states produced by the superlattice structure

  15. High Performance Bulk Thermoelectric Materials

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Zhifeng [Boston College, Chestnut Hill, MA (United States)

    2013-03-31

    Over 13 plus years, we have carried out research on electron pairing symmetry of superconductors, growth and their field emission property studies on carbon nanotubes and semiconducting nanowires, high performance thermoelectric materials and other interesting materials. As a result of the research, we have published 104 papers, have educated six undergraduate students, twenty graduate students, nine postdocs, nine visitors, and one technician.

  16. Thermoelectric effects in magnetic nanostructures

    NARCIS (Netherlands)

    Hatami, Moosa; Bauer, Gerrit E.W.; Zhang, Q.F.; Kelly, Paul J.

    2009-01-01

    We model and evaluate the Peltier and Seebeck effects in magnetic multilayer nanostructures by a finite-element theory of thermoelectric properties. We present analytical expressions for the thermopower and the current-induced temperature changes due to Peltier cooling/heating. The thermopower of a

  17. Thermoelectric characterization of Sb{sub 2}Te{sub 3} thin films deposited by ALD

    Energy Technology Data Exchange (ETDEWEB)

    Zastrow, Sebastian; Schumacher, Christian; Nielsch, Kornelius [University of Hamburg (Germany); Regus, Matthias [University of Kiel (Germany); Schulz, Stephan [University of Duisburg-Essen (Germany)

    2012-07-01

    Thermoelectric materials can be used as temperature sensors or peltier cooling devices as well as to recover a part of the massive losses of energy due to the waste heat generated in fossil-fuel driven power plants and vehicles. Antimony Telluride (Sb{sub 2}Te{sub 3}) is a p-doped semiconductor and in the focus of interest for room temperature applications because of its thermoelectric peak performance at around 350 K. However, thermoelectric properties of Sb{sub 2}Te{sub 3} ALD thin films have not been reported yet. Based on the work of Pore et al., Sb{sub 2}Te{sub 3} is deposited with a home-made reactor on SiO{sub 2} by using (Et{sub 3}Si){sub 2}Te and SbCl{sub 3}. The surface roughness as well as the growth rate depend strongly on the deposition temperature as reported by Cu et al. To check the preferential growth directions and the composition, XRD and EDX measurements are carried out. The thermoelectric properties are influenced by the deposition parameters. Therefore, spatial scans of the Seebeck coefficient are performed and the electrical resistivity is measured. In order to enhance the thermoelectric performance, a first optimization by short annealing processes is done under helium atmosphere up to 570 K. The authors would like to thank the ''Karl-Vossloh-Stiftung''.

  18. GEO-TEP. Development of thermoelectric materials for geothermal energy conversion systems. Final report 2008

    Energy Technology Data Exchange (ETDEWEB)

    Bocher, L.; Weidenkaff, A.

    2008-07-01

    Geothermal heat can be directly converted into electricity by using thermoelectric converters. Thermoelectric conversion relies on intrinsic materials properties which have to be optimised. In this work novel environmentally friendly and stable oxide ceramics were developed to fulfil this task. Thus, manganate phases were studied regarding their potential thermoelectric properties for converting geothermal heat into electricity. Perovskite-type phases were synthesized by applying different methods: the ceramic route, and innovative synthesis routes such as the 'chimie douce' method by bulk thermal decomposition of the citrate precursor or using an USC process, and also the polyol-mediated synthesis route. The crystal structures of the manganate phases are evaluated by XRPD, NPD, and ED techniques while specific microstructures such as twinned domains are highlighted by HRTEM imaging. Besides, the thermal stability of the Mn-oxide phases in air atmosphere are controlled over a wide temperature range (T < 1300 K). The thermoelectric figure of merit ZT was enhanced from 0.021 to 0.3 in a broad temperature range for the studied phases which makes these phases the best perovskitic candidates as n-type polycrystalline thermoelectric materials operating in air at high temperatures. (author)

  19. Magnetic properties of single crystals of bismuth telluride doped with 0.2 at% lead and its thermoelectric power

    International Nuclear Information System (INIS)

    Biswas, S.; Bhattacharya, R.

    1990-01-01

    At temperatures above 200 K the diamagnetic susceptibility of Bi 2 Te 3 doped with 0.2 at% Pb decreases with rising temperature which cannot be accounted for by the change in the diamagnetic contribution of the free carriers present in the substance. It is shown that this decrease can be accounted for if χ L (diamagnetic contribution of core and valence electrons) decreases with temperature. The thermoelectric power is measured to determine the effective mass of carriers. (author)

  20. Local structure and thermoelectric properties of Mg{sub 2}Si{sub 0.977−x}Ge{sub x}Bi{sub 0.023} (0.1 ⩽ x ⩽ 0.4)

    Energy Technology Data Exchange (ETDEWEB)

    Farahi, Nader [Department of Chemistry and Waterloo Institute for Nanotechnology, University of Waterloo, Waterloo, ON N2L 3G1 (Canada); Prabhudev, Sagar; Botton, Gianluigi A. [Materials Science and Engineering Department, McMaster University, Hamilton, ON L8S 4L8 (Canada); Zhao, Jianbao; Tse, John S. [Department of Physics and Engineering Physics, University of Saskatchewan, Saskatoon, SK S7N 5E2 (Canada); Liu, Zhenxian [Geophysical Laboratory, Carnegie Institution of Washington, Washington, DC 20015 (United States); Salvador, James R. [General Motors Research & Development Center, Warren, MI 48090 (United States); Kleinke, Holger, E-mail: kleinke@uwaterloo.ca [Department of Chemistry and Waterloo Institute for Nanotechnology, University of Waterloo, Waterloo, ON N2L 3G1 (Canada)

    2015-09-25

    Highlights: • Incorporating Ge into Bi-doped Mg{sub 2}Si decreases the thermal conductivity and enhances the thermoelectric performance. • Ge-rich domains, identified via TEM, contribute to these changes. • Interstitial sites are in part filled with Mg atoms, as revealed via TEM. • Doping with Bi is advantageous over doping with Sb, resulting in an increase of 48% of the thermoelectric figure of merit. • The highest figure-of-merit of these materials is zT{sub max} = 0.7 at 773 K, realized for Mg{sub 2}Si{sub 0.677}Ge{sub 0.3}Bi{sub 0.023}. - Abstract: We investigated the effect of germanium substitution for silicon in bismuth doped Mg{sub 2}Si. This alloying reduces the thermal conductivity from above 7 W m{sup −1} K{sup −1} to 2.7 W m{sup −1} K{sup −1} at around 300 K in part due to the added mass contrast. High resolution transmission electron microscopy (HRTEM) revealed the presence of Ge-rich domains within the Mg{sub 2}(Si,Ge,Bi) particles, contributing to decreasing thermal conductivity with increasing Ge content up to 0.3 Ge per formula unit. The electrical conductivity also decreases with Ge alloying because of the increasing amount of scattering centers, while the Seebeck coefficient increased only very slightly. In total, the positive effect of Ge substitution on the thermoelectric properties of Bi doped Mg{sub 2}Si resulted in a figure of merit of 0.7 at 773 K for Mg{sub 2}Si{sub 0.677}Ge{sub 0.3}Bi{sub 0.023} sample. The optimum amount of Bi seems to be 0.023 per formula unit (0.77 at%), since lower Bi content resulted in electrical conductivity that is too low, and higher Bi content generated the Mg{sub 3}Bi{sub 2} intermetallic phase.

  1. Influence of Ni on the thermoelectric properties of the partially filled calcium skutterudites Ca.sub.y./sub.Co.sub.4-x./sub.Ni.sub.x./sub.Sb.sub.12./sub..

    Czech Academy of Sciences Publication Activity Database

    Puyet, M.; Dauscher, A.; Lenoir, B.; Bellouard, C.; Stiewe, C.; Müller, E.; Hejtmánek, Jiří; Tobola, J.

    2007-01-01

    Roč. 75, č. 24 (2007), 245110/1-245110/9 ISSN 1098-0121 Institutional research plan: CEZ:AV0Z10100521 Keywords : partially filled skutterudites * thermoelectric properties Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.172, year: 2007

  2. The effect of electron and hole doping on the thermoelectric properties of shandite-type Co3Sn2S2

    Science.gov (United States)

    Mangelis, Panagiotis; Vaqueiro, Paz; Jumas, Jean-Claude; da Silva, Ivan; Smith, Ronald I.; Powell, Anthony V.

    2017-07-01

    Electron and hole doping in Co3Sn2S2, through chemical substitution of cobalt by the neighbouring elements, nickel and iron, affects both the structure and thermoelectric properties. Electron doping to form Co3-xNixSn2S2 (0≤x≤3) results in an expansion of the kagome layer and materials become increasingly metallic as cobalt is substituted. Conversely, hole doping in Co3-xFexSn2S2 (0≤x≤0.6) leads to a transition from metallic to n-type semiconducting behaviour at x=0.5. Iron substitution induces a small increase in the separation between the kagome layers and improves the thermoelectric performance. Neutron diffraction data reveal that substitution occurs at the Co 9(d) site in a disordered fashion. Mössbauer spectroscopy reveals two iron environments with very different isomer shifts, which may be indicative of a mixed-valence state, while Sn exhibits an oxidation state close to zero in both series. Co2.6Fe0.4Sn2S2 exhibits a maximum figure-of-merit, ZT=0.2 at 523 K while Co2.4Fe0.6Sn2S2 reaches a power factor of 10.3 μW cm-1 K-2 close to room temperature.

  3. Thermoelectric generator

    International Nuclear Information System (INIS)

    Purdy, D.L.

    1978-01-01

    The main components of a thermoelectric generator are housed in an evacuated cylindrical vessel. In the middle of it there is the radioactive heat source, e.g. 90 Sr or 238 Pu, enclosed by a gamma radiation shield. This one is surrounded by a heat-insulating screen from getter material or indicidual sheets of titanium. In the bottom of the screen there are arranged several thermocouples on a circle. The thermocouples themselves are contained within casings sealed gas-tight and filled with an inert gas, e.g. argon. By separating the internal space of the generator vessel from the thermocouple casings, made of e.g. n- respectively p-doped lead telluride cylinders, for both the optimal gas state may be obtained. (DG) [de

  4. Effects of hydrostatic pressure on the thermoelectric properties of the ɛ-polytype of InSe, GaSe, and InGaSe2 semiconductor compounds: an ab initio study

    Science.gov (United States)

    Elsayed, H.; Olguín, D.; Cantarero, A.

    2017-12-01

    This work presents an ab initio study of the effects of hydrostatic pressure on the Seebeck coefficients and thermoelectric power factors of the ɛ-polytype of InSe, GaSe, and InGaSe2 semiconductor compounds. Our study is performed using the semi-classical Boltzmann theory and the rigid band approach. The electronic band structures of these materials are calculated using the full-potential linearized augmented plane-wave method. The obtained thermoelectric properties are discussed in terms of the results of the electronic structure calculations. As we will show, our calculated Seebeck coefficient values indicate that these materials are good alternatives to other well-studied thermoelectric systems.

  5. Large thermoelectric efficiency of doped polythiophene junction: A density functional study

    Science.gov (United States)

    Golsanamlou, Zahra; Bagheri Tagani, Meysam; Rahimpour Soleimani, Hamid

    2018-06-01

    The thermoelectric properties of polythiophene (PT) coupled to the Au (111) electrodes are studied based on density functional theory with nonequilibrium Green function formalism. Specially, the effect of Li and Cl adsorbents on the thermoelectric efficiency of the PT junction is investigated in different concentrations of the dopants for two lengths of the PT. Results show that the presence of dopants can bring the structural changes in the oligomer and modify the arrangement of the molecular levels leading to the dramatic changes in the transmission spectra of the junction. Therefore, the large enhancement in thermopower and consequently figure of merit is obtained by dopants which makes the doped PT junction as a beneficial thermoelectric device.

  6. Investigation of the Microstructural and Thermoelectric Properties of the (GeTe0.95(Bi2Te30.05 Composition for Thermoelectric Power Generation Applications

    Directory of Open Access Journals (Sweden)

    Lior Weintraub

    2014-01-01

    Full Text Available In the frame of the current research, the p-type Bi2Te3 doped (GeTe0.95(Bi2Te30.05 alloy composed of hot pressed consolidated submicron structured powder was investigated. The influence of the process parameters (i.e., powder particles size and hot pressing conditions on both reduction of the lattice thermal conductivity and electronic optimization is described in detail. Very high maximal ZT values of up to ∼1.6 were obtained and correlated to the microstructural characteristics. Based on the various involved mechanisms, a potential route for further enhancement of the ZT values of the investigated composition is proposed.

  7. Influence of germanium nano-inclusions on the thermoelectric power factor of bulk bismuth telluride alloy

    International Nuclear Information System (INIS)

    Satyala, Nikhil; Zamanipour, Zahra; Norouzzadeh, Payam; Krasinski, Jerzy S.; Vashaee, Daryoosh; Tahmasbi Rad, Armin; Tayebi, Lobat

    2014-01-01

    Nanocomposite thermoelectric compound of bismuth telluride (Bi 2 Te 3 ) with 5 at. % germanium nano-inclusions was prepared via mechanically alloying and sintering techniques. The influence of Ge nano-inclusions and long duration annealing on the thermoelectric properties of nanostructured Bi 2 Te 3 were investigated. It was found that annealing has significant effect on the carrier concentration, Seebeck coefficient, and the power factor of the thermoelectric compound. The systematic heat treatment also reduced the density of donor type defects thereby decreasing the electron concentration. While the as-pressed nanocomposite materials showed n-type properties, it was observed that with the increase of annealing time, the nanocomposite gradually transformed to an abundantly hole-dominated (p-type) sample. The long duration annealing (∼500 h) resulted in a significantly enhanced electrical conductivity pertaining to the augmentation in the density and the structural properties of the sample. Therefore, a simultaneous enhancement in both electrical and Seebeck coefficient characteristics resulted in a remarkable increase in the thermoelectric power factor.

  8. A Chemical, High-Temperature Way to Ag1.9Te via Quasi-Topotactic Reaction of Stuetzite-type Ag1.54Te: Structural and Thermoelectric Properties.

    Science.gov (United States)

    Baumer, Franziska; Nilges, Tom

    2017-11-20

    Semiconducting silver tellurides gained reasonable interest in the past years due to its thermoelectric, magneto-caloric, and nonlinear optic properties. Nanostructuring has been frequently used to address quantum-confinement effects of minerals and synthetic compounds in the Ag-Te system. Here, we report on the structural, thermal, and thermoelectric properties of stuetzite-like Ag 1.54 Te (or Ag 4.63 Te 3 ) and Ag 1.9 Te. By a quasi-topotactic reaction upon tellurium evaporation Ag 1.54 Te can be transferred to Ag 1.9 Te after heat treatment. Crystal structures, thermal and thermoelectric properties of stuetzite-like Ag 1.54 Te (or Ag 4.63 Te 3 ) and Ag 1.9 Te were determined by ex situ and in situ experiments. This method represents an elegant chemical way to Ag 1.9 Te, which was so far only accessible electrochemically via electrochemical removal of silver from the mineral hessite (Ag 2 Te). The mixed conductors show reasonable high total electric conductivities, very low thermal conductivities, and large Seebeck coefficients, which result in a significant high thermoelectric figure of 0.57 at 680 K.

  9. Strain effect on electronic structure and thermoelectric properties of orthorhombic SnSe: A first principles study

    Directory of Open Access Journals (Sweden)

    Do Duc Cuong

    2015-11-01

    Full Text Available Strain effect on thermoelectricity of orthorhombic SnSe is studied using density function theory. The Seebeck coefficients are obtained by solving Boltzmann Transport equation (BTE with interpolated band energies. As expected from the crystal structure, calculated Seebeck coefficients are highly anisotropic, and agree well with experiment. Changes in the Seebeck coefficients are presented, when strain is applied along b and c direction with strength from -3% to +3%, where influence by band gaps and band dispersions are significant. Moreover, for compressive strains, the sign change of Seebeck coefficients at particular direction suggests that the bipolar transport is possible for SnSe.

  10. Mg2BIV: Narrow Bandgap Thermoelectric Semiconductors

    Science.gov (United States)

    Kim, Il-Ho

    2018-05-01

    Thermoelectric materials can convert thermal energy directly into electric energy and vice versa. The electricity generation from waste heat via thermoelectric devices can be considered as a new energy source. For instance, automotive exhaust gas and all industrial processes generate an enormous amount of waste heat that can be converted to electricity by using thermoelectric devices. Magnesium compound Mg2BIV (BIV = Si, Ge or Sn) has a favorable combination of physical and chemical properties and can be a good base for the development of new efficient thermoelectrics. Because they possess similar properties to those of group BIV elemental semiconductors, they have been recognized as good candidates for thermoelectric applications. Mg2Si, Mg2Ge and Mg2Sn with an antifluorite structure are narrow bandgap semiconductors with indirect band gaps of 0.77 eV, 0.74 eV, and 0.35 eV, respectively. Mg2BIV has been recognized as a promising material for thermoelectric energy conversion at temperatures ranging from 500 K to 800 K. Compared to other thermoelectric materials operating in the similar temperature range, such as PbTe and filled skutterudites, the important aspects of Mg2BIV are non-toxic and earth-abundant elements. Based on classical thermoelectric theory, the material factor β ( m* / m e)3/2μκ L -1 can be utilized as the criterion for thermoelectric material selection, where m* is the density-of-states effective mass, me is the mass of an electron, μ is the carrier mobility, and κL is the lattice thermal conductivity. The β for magnesium silicides is 14, which is very high compared to 0.8 for iron silicides, 1.4 for manganese silicides, and 2.6 for silicon-germanium alloys. In this paper, basic phenomena of thermoelectricity and transport parameters for thermoelectric materials were briefly introduced, and thermoelectric properties of Mg2BIV synthesized by using a solid-state reaction were reviewed. In addition, various Mg2BIV compounds were discussed

  11. Exploring the thermoelectric and magnetic properties of uranium selenides: Tl{sub 2}Ag{sub 2}USe{sub 4} and Tl{sub 3}Cu{sub 4}USe{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Azam, Sikander; Khan, Saleem Ayaz [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, 30614 Pilsen (Czech Republic); Din, Haleem Ud [Department of Physics, Hazara University, Mansehra (Pakistan); Khenata, Rabah [Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, Mascara 29000 (Algeria); Goumri-Said, Souraya, E-mail: sosaid@alfaisal.edu [College of Science, Physics department, Alfaisal University, P.O. Box 50927, Riyadh 11533 (Saudi Arabia)

    2016-09-01

    The electronic, magnetic and thermoelectric properties of Tl{sub 2}Ag{sub 2}USe{sub 4} and Tl{sub 3}Cu{sub 4}USe{sub 6} compounds were investigated using the full potential linear augmented plane wave (FP-LAPW) method based on the density functional theory (DFT). The exchange correlation was treated with the generalized gradient approximation plus optimized effective Hubbard parameter and spin–orbit coupling (GGA+U+SOC). The present uranium selenides show narrow direct energy band gap values of 0.7 and 0.875 eV for Tl{sub 2}Ag{sub 2}USe{sub 4} and Tl{sub 3}Cu{sub 4}USe{sub 6} respectively. For both selenides U-d/f states are responsible for electrical transport properties. Uranium atoms were the most contributors in the magnetic moment compared to other atoms and show ferromagnetic nature. The spin density isosurfaces show the polarization of neighboring atoms of Uranium, such as silver/copper and selenium. Thermoelectric calculations reveal that Tl{sub 3}Cu{sub 4}USe{sub 6} is more suitable for thermoelectric device applications than Tl{sub 2}Ag{sub 2}USe{sub 4}. - Highlights: • Electronic, magnetic and thermoelectric properties of uranium selenides are investigated with DFT. • They show a narrow direct energy band gap of 0.7 and 0.875 eV. • U-d/f states are responsible for electrical transport properties. • Tl{sub 3}Cu{sub 4}USe{sub 6} is more suitable for thermoelectric device applications than Tl{sub 2}Ag{sub 2}USe{sub 4}.

  12. Thermoelectric nanomaterials materials design and applications

    CERN Document Server

    Koumoto, Kunihito

    2014-01-01

    Presently, there is an intense race throughout the world to develop good enough thermoelectric materials which can be used in wide scale applications. This book focuses comprehensively on very recent up-to-date breakthroughs in thermoelectrics utilizing nanomaterials and methods based in nanoscience. Importantly, it provides the readers with methodology and concepts utilizing atomic scale and nanoscale materials design (such as superlattice structuring, atomic network structuring and properties control, electron correlation design, low dimensionality, nanostructuring, etc.). Furthermore, also

  13. Environment-Friendly Post-Treatment of PEDOT-Tos Films by Aqueous Vitamin C Solutions for Tuning of Thermoelectric Properties

    Science.gov (United States)

    Khan, Ezaz Hasan; Thota, Sammaiah; Wang, Yiwen; Li, Lian; Wilusz, Eugene; Osgood, Richard; Kumar, Jayant

    2018-04-01

    Aqueous vitamin C solution has been used as an environment-friendly reducing agent for tuning the thermoelectric properties of p-toluenesulfonate-doped poly(3,4-ethylenedioxythiophene) (PEDOT-Tos) films. The de-doping of the PEDOT-Tos films by aqueous vitamin C solutions led to a decrease in the electrical conductivity of the films. The measured ultraviolet-visible-near-infrared and x-ray photoelectron spectra clearly indicated the reduction in the oxidation level from 37 to 23% when the PEDOT-Tos films were treated with 5% (w/v) aqueous vitamin C solutions. An increase in the Seebeck coefficient was measured, resulting in an increase in the figure-of-merit (ZT). A 42% increase in ZT was determined for the 5% aqueous vitamin C solution-treated PEDOT-Tos films with respect to that of the untreated films.

  14. Thermoelectric properties of Ba3Co2O6(CO3)0.7 containing one-dimensional CoO6 octahedral columns

    OpenAIRE

    Iwasaki, Kouta; Yamamoto, Teruhisa; Yamane, Hisanori; Takeda, Takashi; Arai, Shigeo; Miyazaki, Hidetoshi; Tatsumi, Kazuyoshi; Yoshino, Masahito; Ito, Tsuyoshi; Arita, Yuji; Muto, Shunsuke; Nagasaki, Takanori; Matsui, Tsuneo

    2009-01-01

    The thermoelectric properties of Ba3Co2O6(CO3)0.7 have been investigated using prismatic single crystals elongated along the c axis. Ba3Co2O6(CO3)0.7 has a pseudo-one-dimensional structure similar to that of 2H perovskite-type BaCoO3 and contains CoO6 octahedral columns running parallel to the c axis. The prismatic crystals are grown by a flux method using a K2CO3–BaCl2 flux. The electrical conductivity(σ) along the columns (c axis) exhibits a metallic behavior (670–320 S cm−1 in the temperat...

  15. Thermoelectric properties of I-doped n-type Bi2Te3-based material prepared by hydrothermal and subsequent hot pressing

    Directory of Open Access Journals (Sweden)

    Fang Wu

    2017-04-01

    Full Text Available I-doped Bi2Te3−xIx (x=0, 0.05, 0.1, 0.2 flower-like nanoparticles were synthesized by a hydrothermal method through a careful adjustment of the amount of ethylenediamine tetraacetic acid surfactant. The nanopowders of flower-like nanoparticles were hot-pressed into bulk pellets and the thermoelectric properties of the pellets were investigated. The results showed that I-doping decreased the electrical resistivity effectively, and the thermal conductivitives of the Bi2Te3−xIx bulk samples was lower because of the closer atomic mass of I compared to Te. As a result, a ZT value of 1.1 was attained at 448 K for the Bi2Te2.9I0.1 sample.

  16. Nanoscale thermoelectric materials

    International Nuclear Information System (INIS)

    Failamani, F.

    2015-01-01

    Thermoelectric (TE) materials directly convert thermal energy to electrical energy when subjected to a temperature gradient, whereas if electricity is applied to thermoelectric materials, a temperature gradient is formed. The performance of thermoelectric materials is characterized by a dimensionless figure of merit (ZT = S2T/ρλ), which consists of three parameters, Seebeck coefficient (S), electrical resistivity (ρ) and thermal conductivity (λ). To achieve good performance of thermoelectric power generation and cooling, ZT's of thermoelectric materials must be as high as possible, preferably above unity. This thesis comprises three main parts, which are distributed into six chapters: (i) nanostructuring to improve TE performance of trivalent rare earth-filled skutterudites (chapter 1 and 2), (ii) interactions of skutterudite thermolectrics with group V metals as potential electrode or diffusion barrier for TE devices (chapter 3 and 4), and (iii) search for new materials for TE application (chapter 5 and 6). Addition of secondary phases, especially nano sized phases can cause additional reduction of the thermal conductivity of a filled skutterudite which improves the figure of merit (ZT) of thermoelectric materials. In chapter 1 we investigated the effect of various types of secondary phases (silicides, borides, etc.) on the TE properties of trivalent rare earth filled Sb-based skutterudites as commercially potential TE materials. In this context the possibilty to introduce borides as nano-particles (via ball-milling in terms of a skutterudite/boride composite) is also elucidated in chapter 2. As a preliminary study, crystal structure of novel high temperature FeB-type phases found in the ternary Ta-{Ti,Zr,Hf,}-B systems were investigated. In case of Ti and Hf this phase is the high temperature stabilization of binary group IV metal monoborides, whereas single crystal study of (Ta,Zr)B proves that it is a true ternary phase as no stable monoboride exist in the

  17. Effects of Li and Na intercalation on electronic, bonding and thermoelectric transport properties of MX{sub 2} (M = Ta; X = S or Se) dichalcogenides – Ab initio investigation

    Energy Technology Data Exchange (ETDEWEB)

    Meziane, Souheyr; Feraoun, Houda [Unité de Recherche Matériaux et Energies Renouvelables – URMER, Université de Tlemcen (Algeria); Ouahrani, Tarik [Laboratoire de Physique Théorique, Ecole Préparatoire en Sciences et Techniques, B.P. 230, 13000 Tlemcen (Algeria); Esling, Claude, E-mail: claude.esling@univ-lorraine.fr [Laboratoire d’Etude des Microstructures et de Mécanique des Matériaux, LEM3 UMR CNRS 7239, Université de Lorraine UL, Metz 57045 (France); Laboratoire d’Excellence “DAMAS”: Design of Metal Alloys for low-mAss Structures, Université de Lorraine – Metz, Ile du Saulcy, 57045 Metz Cedex 01 (France)

    2013-12-25

    Highlights: •Topological method is used to analyze the chemical bonding in Li(Na)TaX{sub 2} dichalcogenide compounds. •For the first time, Seebeck coefficient, electrical resistivity and thermal conductivity were estimated. •The best figure of merit is established for 2H-LiTaS{sub 2}. •Some new thermoelectric compounds are found. -- Abstract: Using the pseudo-potential method and semi-classical Boltzmann theory, electronic, chemical bonding and thermoelectric transport properties of sample and Li or Na intercalated Ta(S, Se){sub 2} dichalcogenides have been reported. The chemical bonding is studied using the Quantum Theory of Atoms in Molecules (QTAIM). Then, the Seebeck coefficient, electrical resistivity, electrical conductivity, thermal conductivity and figure of merit have been calculated in the temperature range 100–700 K. It was shown that the thermoelectric transport properties strongly depend on the Alkali metals doping and the two main structures 1T- or 2H- as well as the temperature. 2H-LiTaS{sub 2} have been selected as the best candidate for thermoelectrical applications with zT = 1.1.

  18. Enhancing the magnetic properties of magnetic nanoparticles

    DEFF Research Database (Denmark)

    Ahlburg, Jakob; Saura-Múzquiz, Matilde; Stingaciu, Marian

    with a similar magnetic performance. There are several different ways of enhancing magnetic properties of 3d magnetic compounds. This includes, size control, core-shell particles or mixing hard and soft magnetic materials together to achieve an exchange coupling between the compounds and enhancing the magnetic...... energy product. In order to control the particle size, a hydrothermal synthesis is preferred. This followed by reduction or the oxides into either core shell particles, or a mixture of magnetic oxides and a metallic phase.......Strong magnets with a high energy product are vital when optimizing the efficiency in the electric industry. But since the rare earth metals, normally used for making strong permanent magnets, are both expensive and difficult to mine, a great demand has come to cheaper types of magnets...

  19. Thermoelectric Energy Conversion: Materials, Devices, and Systems

    International Nuclear Information System (INIS)

    Chen, Gang

    2015-01-01

    This paper will present a discussion of challenges, progresses, and opportunities in thermoelectric energy conversion technology. We will start with an introduction to thermoelectric technology, followed by discussing advances in thermoelectric materials, devices, and systems. Thermoelectric energy conversion exploits the Seebeck effect to convert thermal energy into electricity, or the Peltier effect for heat pumping applications. Thermoelectric devices are scalable, capable of generating power from nano Watts to mega Watts. One key issue is to improve materials thermoelectric figure- of-merit that is linearly proportional to the Seebeck coefficient, the square of the electrical conductivity, and inversely proportional to the thermal conductivity. Improving the figure-of-merit requires good understanding of electron and phonon transport as their properties are often contradictory in trends. Over the past decade, excellent progresses have been made in the understanding of electron and phonon transport in thermoelectric materials, and in improving existing and identify new materials, especially by exploring nanoscale size effects. Taking materials to real world applications, however, faces more challenges in terms of materials stability, device fabrication, thermal management and system design. Progresses and lessons learnt from our effort in fabricating thermoelectric devices will be discussed. We have demonstrated device thermal-to-electrical energy conversion efficiency ∼10% and solar-thermoelectric generator efficiency at 4.6% without optical concentration of sunlight (Figure 1) and ∼8-9% efficiency with optical concentration. Great opportunities exist in advancing materials as well as in using existing materials for energy efficiency improvements and renewable energy utilization, as well as mobile applications. (paper)

  20. Dynamic thermoelectricity in uniform bipolar semiconductor

    Energy Technology Data Exchange (ETDEWEB)

    Volovichev, I.N., E-mail: vin@ire.kharkov.ua

    2016-07-01

    The theory of the dynamic thermoelectric effect has been developed. The effect lies in an electric current flowing in a closed circuit that consists of a uniform bipolar semiconductor, in which a non-uniform temperature distribution in the form of the traveling wave is created. The calculations are performed for the one-dimensional model in the quasi-neutrality approximation. It was shown that the direct thermoelectric current prevails, despite the periodicity of the thermal excitation, the circuit homogeneity and the lack of rectifier properties of the semiconductor system. Several physical reasons underlining the dynamic thermoelectric effect are found. One of them is similar to the Dember photoelectric effect, its contribution to the current flowing is determined by the difference in the electron and hole mobilities, and is completely independent of the carrier Seebeck coefficients. The dependence of the thermoelectric short circuit current magnitude on the semiconductor parameters, as well as on the temperature wave amplitude, length and velocity is studied. It is shown that the magnitude of the thermoelectric current is proportional to the square of the temperature wave amplitude. The dependence of the thermoelectric short circuit current on the temperature wave length and velocity is the nonmonotonic function. The optimum values for the temperature wave length and velocity, at which the dynamic thermoelectric effect is the greatest, have been deduced. It is found that the thermoelectric short circuit current changes its direction with decreasing the temperature wave length under certain conditions. The prospects for the possible applications of the dynamic thermoelectric effect are also discussed.

  1. Enhanced n-Doping Efficiency of a Naphthalenediimide-Based Copolymer through Polar Side Chains for Organic Thermoelectrics

    KAUST Repository

    Kiefer, David

    2018-01-05

    N-doping of conjugated polymers either requires a high dopant fraction or yields a low electrical conductivity because of their poor compatibility with molecular dopants. We explore n-doping of the polar naphthalenediimide–bithiophene copolymer p(gNDI-gT2) that carries oligoethylene glycol-based side chains and show that the polymer displays superior miscibility with the benzimidazole–dimethylbenzenamine-based n-dopant N-DMBI. The good compatibility of p(gNDI-gT2) and N-DMBI results in a relatively high doping efficiency of 13% for n-dopants, which leads to a high electrical conductivity of more than 10–1 S cm–1 for a dopant concentration of only 10 mol % when measured in an inert atmosphere. We find that the doped polymer is able to maintain its electrical conductivity for about 20 min when exposed to air and recovers rapidly when returned to a nitrogen atmosphere. Overall, solution coprocessing of p(gNDI-gT2) and N-DMBI results in a larger thermoelectric power factor of up to 0.4 μW K–2 m–1 compared to other NDI-based polymers.

  2. Nanocrystalline permanent magnets with enhanced properties

    International Nuclear Information System (INIS)

    Leonowicz, M.

    2002-01-01

    Parameters of permanent magnets result from the combination of intrinsic properties such as saturation magnetization, magnetic exchange, and magnetocrystalline energy, as well as microstructural parameters such as phase structure, grain size, and orientation. Reduction of grain size into nanocrystalline regime (∼ 50 nm) leads to the enhanced remanence which derives from ferromagnetic exchange coupling between highly refined grains. In this study the fundamental phenomena, quantities, and structure parameters, which define nanophase permanent magnets are presented and discussed. The theoretical considerations are confronted with experimental data for nanocrystalline Sm-Fe-N type permanent magnets. (author)

  3. High figure of merit and thermoelectric properties of Bi-doped Mg2Si0.4Sn0.6 solid solutions

    International Nuclear Information System (INIS)

    Liu, Wei; Zhang, Qiang; Yin, Kang; Chi, Hang; Zhou, Xiaoyuan; Tang, Xinfeng; Uher, Ctirad

    2013-01-01

    The study of Mg 2 Si 1−x Sn x -based thermoelectric materials has received widespread attention due to a potentially high thermoelectric performance, abundant raw materials, relatively low cost of modules, and non-toxic character of compounds. In this research, Mg 2.16 (Si 0.4 Sn 0.6 ) 1−y Bi y solid solutions with the nominal Bi content of 0≤y≤0.03 are prepared using a two-step solid state reaction followed by spark plasma sintering consolidation. Within this range of Bi concentrations, no evidence of second phase segregation was found. Bi is confirmed to occupy the Si/Sn sites in the crystal lattice and behaves as an efficient n-type dopant in Mg 2 Si 0.4 Sn 0.6 . Similar to the effect of Sb, Bi doping greatly increases the electron density and the power factor, and reduces the lattice thermal conductivity of Mg 2.16 Si 0.4 Sn 0.6 solid solutions. Overall, the thermoelectric figure of merit of Bi-doped Mg 2.16 Si 0.4 Sn 0.6 solid solutions is improved by about 10% in comparison to values obtained with Sb-doped materials of comparable dopant content. This improvement comes chiefly from a marginally higher Seebeck coefficient of Bi-doped solid solutions. The highest ZT∼1.4 is achieved for the y=0.03 composition at 800 K. - Graphical abstract: (a)The relationship between electrical conductivity and power factor for Sb/Bi-doped Mg 2.16 (Si 0.4 Sn 0.6 ) 1−y (Sb/Bi) y (0 2.16 (Si 0.4 Sn 0.6 ) 1−y Bi y (0≤y≤0.03) solid solutions. (c)Temperature dependent dimensionless figure of merit ZT of Mg 2.16 (Si 0.4 Sn 0.6 ) 1−y Bi y (0≤y≤0.03) solid solutions. - Highlights: • Bi doped Mg 2.16 Si 0.4 Sn 0.6 showed 15% enhancement in the power factor as compared to Sb doped samples. • Bi doping reduced κ ph of Mg 2.16 Si 0.4 Sn 0.6 due to stronger point defect scattering. • The highest ZT=1.4 at 800 K was achieved for Mg 2.16 (Si 0.4 Sn 0.6 ) 0.97 Bi 0.03

  4. Silicon Germanium Quantum Well Thermoelectrics

    Science.gov (United States)

    Davidson, Anthony Lee, III

    Today's growing energy demands require new technologies to provide high efficiency clean energy. Thermoelectrics that convert heat to electrical energy directly can provide a method for the automobile industry to recover waste heat to power vehicle electronics, hence improving fuel economy. If large enough efficiencies can be obtained then the internal combustion engine could even be replaced. Exhaust temperature for automotive application range from 400 to 800 K. In this temperature range the current state of the art materials are bulk Si1-xGex alloys. By alternating layers of Si and Si1-xGex alloy device performance may be enhanced through quantum well effects and variations in material thermal properties. In this study, superlattices designed for in-plane operation with varying period and crystallinity are examined to determine the effect on electrical and thermal properties. In-plane electrical resistivity of these materials was found to be below the bulk material at a similar doping at room temperature, confirming the role of quantum wells in electron transport. As period is reduced in the structures boundary scattering limits electron propagation leading to increased resistivity. The Seebeck coefficient measured at room temperature is higher than the bulk material, additionally lending proof to the effects of quantum wells. When examining cross-plane operation the low doping in the Si layers of the device produce high resistivity resulting from boundary scattering. Thermal conductivity was measured from 77 K up to 674 K and shows little variation due to periodicity and temperature, however an order of magnitude reduction over bulk Si1-xGex is shown in all samples. A model is developed that suggests a combination of phonon dispersion effects and strong boundary scattering. Further study of the phonon dispersion effects was achieved through the examination of the heat capacity by combining thermal diffusivity with thermal conductivity. All superlattices show a

  5. Thermoelectric properties of TiNiSn and Zr0.5Hf0.5NiSn thin films and superlattices with reduced thermal conductivities

    International Nuclear Information System (INIS)

    Jaeger, Tino

    2013-01-01

    Rising energy costs and enhanced CO 2 emission have moved research about thermoelectric (TE) materials into focus. The suitability of a material for usage in TE devices depends on the figure of merit ZT and is equal to α 2 σTκ -1 including Seebeck coefficient α, conductivity σ, temperature T and thermal conductivity κ. Without affecting the power factor α 2 σ, using nanostructuring, ZT should here be increased by a depressed thermal conductivity. As half-Heusler (HH) bulk materials, the TE properties of TiNiSn and Zr 0.5 Hf 0.5 NiSn have been extensively studied. Here, semiconducting TiNiSn and Zr 0.5 Hf 0.5 NiSn thin films were fabricated for the first time by dc magnetron sputtering. On MgO (100) substrates, strongly textured polycrystalline films were obtained at substrate temperatures of about 450 C. The film consisted of grains with an elongation perpendicular to the surface of 55 nm. These generated rocking curves with FWHMs of less than 1 . Structural analyses were performed by X ray diffraction (XRD). Having deposition rates of about 1 nms -1 within shortest time also films in the order of microns were fabricated. For TiNiSn the highest in-plane power factor of about 0.4 mWK -2 m -1 was measured at about 550 K. In addition, at room temperature a cross-plane thermal conductivity of 2.8 Wm -1 K -1 was observed by the differential 3ω method. Because the reduction of thermal conductivity by mass fluctuation is well-known and interface scattering of phonons is expected, superlattices (SL) were fabricated. Therefore, TiNiSn and Zr 0.5 Hf 0.5 NiSn were successively deposited. While the sputter cathodes were continuously running, for fabrication of SLs the substrates were moved from one to another. The high crystal quality of the SLs and the sharp interfaces were proven by satellite peaks (XRD) and Scanning Transmission Electron Microscopy (STEM). For a SL with a periodicity of 21 nm (TiNiSn and Zr 0.5 Hf 0.5 NiSn each 15 nm) at a temperature of 550 K an

  6. Thermoelectric transport through quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Merker, Lukas Heinrich

    2016-06-30

    In this thesis the thermoelectric properties (electrical conductance, Seebeck coefficient and thermal conductance)of quantum dots described by the Anderson impurity model have been investigated by using the numerical renormalization group (NRG) method. In order to make accurate calculations for thermoelectric properties of quantum impurity systems, a number of recent developments and refinements of the NRG have been implemented. These include the z-averaging and Campo discretization scheme, which enable the evaluation of physical quantities on an arbitrary temperature grid and at large discretization parameter Λ and the full density matrix (FDM) approach, which allows a more accurate calculation of spectral functions and transport coefficients. The implementation of the z-averaging and Campo discretization scheme has been tested within a new method for specific heats of quantum impurities. The accuracy of this new method was established by comparison with the numerical solution of the Bethe-ansatz equations for the Anderson model. The FDM approach was implemented and tested within a new approach to the calculation of impurity contributions to the uniform susceptibilities. Within this method a non-negligible contribution from the ''environmental'' degrees of freedom needs to be taken into account to recover the correct susceptibility, as shown by comparison with the Bethe-ansatz approach. An accurate method to calculate the conductance of a quantum dot is implemented, enabling the extraction of the Fermi liquid scaling coefficients c{sub T} and c{sub B} to high accuracy, being able to verify the results of the renormalized super perturbation theory approach (within its regime of validity). The method was generalized to higher order moments of the local level spectral function. This, as well as reduction of the SU(2) code to the U(1) symmetry, enabled the investigation of the effect of a magnetic field on the thermoelectric properties of quantum

  7. Effective thermal conductivity in thermoelectric materials

    Energy Technology Data Exchange (ETDEWEB)

    Baranowski, LL; Snyder, GJ; Toberer, ES

    2013-05-28

    Thermoelectric generators (TEGs) are solid state heat engines that generate electricity from a temperature gradient. Optimizing these devices for maximum power production can be difficult due to the many heat transport mechanisms occurring simultaneously within the TEG. In this paper, we develop a model for heat transport in thermoelectric materials in which an "effective thermal conductivity" (kappa(eff)) encompasses both the one dimensional steady-state Fourier conduction and the heat generation/consumption due to secondary thermoelectric effects. This model is especially powerful in that the value of kappa(eff) does not depend upon the operating conditions of the TEG but rather on the transport properties of the TE materials themselves. We analyze a variety of thermoelectric materials and generator designs using this concept and demonstrate that kappa(eff) predicts the heat fluxes within these devices to 5% of the exact value. (C) 2013 AIP Publishing LLC.

  8. Ultrafast one-step combustion synthesis and thermoelectric properties of In-doped Cu{sub 2}SnSe{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yuyang [Key Laboratory of Cryogenics, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190 (China); University of Chinese Academy of Sciences, Beijing, 100049 (China); Liu, Guanghua, E-mail: liugh02@163.com [Key Laboratory of Cryogenics, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190 (China); Li, Jiangtao, E-mail: lijiangtao@mail.ipc.ac.cn [Key Laboratory of Cryogenics, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190 (China); Chen, Kexin [State Key Laboratory of New Ceramics & Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing, 100084 (China); He, Gang; Yang, Zengchao; Han, Yemao; Zhou, Min; Li, Laifeng [Key Laboratory of Cryogenics, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190 (China)

    2016-07-01

    Bulk In-doped Cu{sub 2}SnSe{sub 3} samples were prepared by a fast and one-step method of high-gravity combustion synthesis. All the synthesized samples were dense with relative densities of >98%. The influence of Indium-doping on the phase composition of the samples was investigated. SEM and EDS measurements confirm the existence of SnSe and Cu{sub 2}Se as secondary phase in the Cu{sub 2}Sn{sub 1−x}In{sub x}Se{sub 3} samples. In addition, the experimental results show that there is a solubility limit of indium in the Cu{sub 2}SnSe{sub 3} matrix. The thermoelectric properties of the samples were measured in a temperature range from 323 K to 773 K, and the Cu{sub 2}Sn{sub 0.8}In{sub 0.2}Se{sub 3} sample achieved a maximum ZT of 0.65 at 773 K, which was comparable with the best-reported result for Cu{sub 2}SnSe{sub 3} materials prepared by conventional sintering approaches. With much reduced time and energy consumption, high-gravity combustion synthesis may offer a more efficient and economical way for producing thermoelectric materials. - Highlights: • Dense bulk Cu{sub 2}SnSe{sub 3} materials are prepared by one-step combustion synthesis. • The solubility limit of Indium into the Cu{sub 2}SnSe{sub 3} matrix has been discussed. • A maximum ZT of 0.65 is obtained for the Cu{sub 2}Sn{sub 1−x}In{sub x}Se{sub 3} (x = 0.2) at 773 K.

  9. Theoretical investigation on thermoelectric properties of (Ca,Sr,Ba)Fe2(As/Bi)2 compounds under temperature

    Science.gov (United States)

    Jayalakshmi, D. S.; Sundareswari, M.; Viswanathan, E.; Das, Abhijeet

    2018-04-01

    The electrical conductivity, resistivity and Seebeck coefficient, Pauli magnetic susceptibility and power factor are computed under temperature (100 K - 800 K) in steps of 100 K for the theoretically designed compounds namely (Ca,Sr,Ba)Fe2Bi2 and their parent compounds namely (Ca,Sr,Ba)Fe2As2 by using Boltzmann transport theory interfaced to the Wien2k program. The Bulk modulus, electron phonon coupling constant, thermoelectric figure of merit (ZT) and transition temperature are calculated for the optimized anti ferromagnetic phase of the proposed compounds. The results are discussed for the novel compounds in view of their superconductivity existence and compared with their parent unconventional superconducting compounds.

  10. Structural, chemical, and thermoelectric properties of Bi2Te3 Peltier materials. Bulk, thin films, and superlattices

    International Nuclear Information System (INIS)

    Peranio, Nicola

    2008-01-01

    In this work, the nature of the natural nanostructure (nns) was analysed and the correlations to the transport coefficients, particularly the lattice thermal conductivity, is discussed. Experimental methods are presented for the first time, yielding an accurate quantitative analysis of the chemical composition and of stress fields in Bi 2 Te 3 and in compounds with similar structural and chemical microstructures. This work can be subdivided as follows: (I) N-type Bi 2 (Te 0.91 Se 0.09 ) 3 and p-type (Bi 0.26 Sb 0.74 ) 1.98 (Te 0.99 Se 0.01 ) 3.02 bulk materials synthesised by the Bridgman technique. (II) Bi 2 Te 3 thin films and Bi 2 Te 3 /Bi 2 (Te 0.88 Se 0.12 ) 3 superlattices epitaxially grown by molecular beam epitaxy (MBE) on BaF 2 substrates with periods of δ-12 nm at the Fraunhofer-Institut fuer Physikalische Messtechnik (IPM). (III) Experimental methods, i.e., TEM specimen preparation, high-accuracy quantitative chemical analysis by EDX in the TEM, and image simulations of dislocations and the nns according to the two-beam dynamical diffraction theory. The nns was analysed in detail by stereomicroscopy and by image simulation and was found to be a pure sinusoidal displacement field with (i) a displacement vector parallel to and an amplitude of about 10 pm and (ii) a wave vector parallel to {1,0,10} and a wavelength of 10 nm. The results obtained here showed a significant amount of stress in the samples, induced by the nns which was still not noticed and identified. Both kinds of nanostructures, artificial (ans) and natural (nns) nanostructures, yielded in thermoelectric materials a low lattice thermal conductivity which was beneficial for the thermoelectric figure of merit ZT. (orig.)

  11. Thermoelectric materials having porosity

    Science.gov (United States)

    Heremans, Joseph P.; Jaworski, Christopher M.; Jovovic, Vladimir; Harris, Fred

    2014-08-05

    A thermoelectric material and a method of making a thermoelectric material are provided. In certain embodiments, the thermoelectric material comprises at least 10 volume percent porosity. In some embodiments, the thermoelectric material has a zT greater than about 1.2 at a temperature of about 375 K. In some embodiments, the thermoelectric material comprises a topological thermoelectric material. In some embodiments, the thermoelectric material comprises a general composition of (Bi.sub.1-xSb.sub.x).sub.u(Te.sub.1-ySe.sub.y).sub.w, wherein 0.ltoreq.x.ltoreq.1, 0.ltoreq.y.ltoreq.1, 1.8.ltoreq.u.ltoreq.2.2, 2.8.ltoreq.w.ltoreq.3.2. In further embodiments, the thermoelectric material includes a compound having at least one group IV element and at least one group VI element. In certain embodiments, the method includes providing a powder comprising a thermoelectric composition, pressing the powder, and sintering the powder to form the thermoelectric material.

  12. New Materials for High Temperature Thermoelectric Power Generation

    Energy Technology Data Exchange (ETDEWEB)

    Kauzlarich, Susan [Univ. of California, Davis, CA (United States)

    2016-02-03

    The scope of this proposal was to develop two new high ZT materials with enhanced properties for the n- and p-leg of a thermoelectric device capable of operating at a maximum temperature of 1275 K and to demonstrate the efficiency in a working device. Nanostructured composites and new materials based on n– and p–type nanostructured Si1-xGex (ZT1273K ~ 1) and the recently discovered p–type high temperature Zintl phase material, Yb14MnSb11 (ZT1273K ~1) were developed and tested in a working device.

  13. Thermoelectrics and its energy harvesting

    National Research Council Canada - National Science Library

    Rowe, David Michael

    2012-01-01

    .... It details the latest techniques for the preparation of thermoelectric materials employed in energy harvesting, together with advances in the thermoelectric characterisation of nanoscale material...

  14. Mechanical Response of Thermoelectric Materials

    Energy Technology Data Exchange (ETDEWEB)

    Wereszczak, Andrew A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Case, Eldon D. [Michigan State Univ., East Lansing, MI (United States)

    2015-05-01

    A sufficient mechanical response of thermoelectric materials (TEMats) to structural loadings is a prerequisite to the exploitation of any candidate TEMat's thermoelectric efficiency. If a TEMat is mechanically damaged or cracks from service-induced stresses, then its thermal and electrical functions can be compromised or even cease. Semiconductor TEMats tend to be quite brittle and have a high coefficient of thermal expansion; therefore, they can be quite susceptible to mechanical failure when subjected to operational thermal gradients. Because of this, sufficient mechanical response (vis-a-vis, mechanical properties) of any candidate TEMat must be achieved and sustained in the context of the service-induced stress state to which it is subjected. This report provides an overview of the mechanical responses of state-of-the-art TEMats; discusses the relevant properties that are associated with those responses and their measurement; and describes important, nonequilibrium phenomena that further complicate their use in thermoelectric devices. For reference purposes, the report also includes several appendixes that list published data on elastic properties and strengths of a variety of TEMats.

  15. High Temperature Integrated Thermoelectric Ststem and Materials

    Energy Technology Data Exchange (ETDEWEB)

    Mike S. H. Chu

    2011-06-06

    The final goal of this project is to produce, by the end of Phase II, an all ceramic high temperature thermoelectric module. Such a module design integrates oxide ceramic n-type, oxide ceramic p-type materials as thermoelectric legs and oxide ceramic conductive material as metalizing connection between n-type and p-type legs. The benefits of this all ceramic module are that it can function at higher temperatures (> 700 C), it is mechanically and functionally more reliable and it can be scaled up to production at lower cost. With this all ceramic module, millions of dollars in savings or in new opportunities recovering waste heat from high temperature processes could be made available. A very attractive application will be to convert exhaust heat from a vehicle to reusable electric energy by a thermoelectric generator (TEG). Phase I activities were focused on evaluating potential n-type and p-type oxide compositions as the thermoelectric legs. More than 40 oxide ceramic powder compositions were made and studied in the laboratory. The compositions were divided into 6 groups representing different material systems. Basic ceramic properties and thermoelectric properties of discs sintered from these powders were measured. Powders with different particles sizes were made to evaluate the effects of particle size reduction on thermoelectric properties. Several powders were submitted to a leading thermoelectric company for complete thermoelectric evaluation. Initial evaluation showed that when samples were sintered by conventional method, they had reasonable values of Seebeck coefficient but very low values of electrical conductivity. Therefore, their power factors (PF) and figure of merits (ZT) were too low to be useful for high temperature thermoelectric applications. An unconventional sintering method, Spark Plasma Sintering (SPS) was determined to produce better thermoelectric properties. Particle size reduction of powders also was found to have some positive benefits

  16. Thermoelectric Performance of Na-Doped GeSe

    NARCIS (Netherlands)

    Shaabani, Laaya; Aminorroaya-Yamini, Sima; Byrnes, Jacob; Akbar Nezhad, Ali; Blake, Graeme R

    2017-01-01

    Recently, hole-doped GeSe materials have been predicted to exhibit extraordinary thermoelectric performance owing largely to extremely low thermal conductivity. However, experimental research on the thermoelectric properties of GeSe has received less attention. Here, we have synthesized

  17. The thermoelectric figure of merit of poor thermal conductors

    International Nuclear Information System (INIS)

    Dixon, A.J.

    1977-01-01

    Calculations are given to show that for low thermal conductivity materials the radiation losses at even moderate temperatures preclude the use of the Harman technique for measuring the thermoelectric figure of merit. Measurements on liquid Tl 66 Se 34 , which has suitable thermoelectric properties, confirm this. (author)

  18. WS2 as an excellent high-temperature thermoelectric material

    KAUST Repository

    Gandi, Appala

    2014-11-25

    The potential of WS2 as a thermoelectric material is assessed. The electronic contribution to the thermoelectric properties is calculated within the constant relaxation time approximation from the electronic band structure, whereas the lattice contribution is evaluated using self-consistently calculated phonon lifetimes. In addition, the dependence of the lattice thermal conductivity on the mean free path of the phonons is determined.

  19. WS2 as an excellent high-temperature thermoelectric material

    KAUST Repository

    Gandi, Appala; Schwingenschlö gl, Udo

    2014-01-01

    The potential of WS2 as a thermoelectric material is assessed. The electronic contribution to the thermoelectric properties is calculated within the constant relaxation time approximation from the electronic band structure, whereas the lattice contribution is evaluated using self-consistently calculated phonon lifetimes. In addition, the dependence of the lattice thermal conductivity on the mean free path of the phonons is determined.

  20. Influence of temperature on thermoelectric properties of Fe{sub x}Co{sub 1−x}S{sub 2} thin films: A semiconductor to semimetal conversion

    Energy Technology Data Exchange (ETDEWEB)

    Clamagirand, J.M.; Ares, J.R., E-mail: joser.ares@uam.es; Flores, E.; Diaz-Chao, P.; Leardini, F.; Ferrer, I.J.; Sánchez, C.

    2016-02-01

    In this work, we investigate the thermoelectric properties of p and n-type thin films obtained by cobalt doping of FeS{sub 2}. Films were synthesized by direct sulfuration of Co–Fe thin bilayers at 300 °C. It is found that at room temperature (RT), the Seebeck coefficient is reduced from 80 μV/K to − 70 μV/K when Co concentration is increased and the electrical resistivity of the films is decreased two orders of magnitude. X-ray diffraction and Raman measurements point out that Co is replacing Fe into the pyrite lattice and, subsequently is promoting a semiconductor to semimetal conversion. The influence of temperature on transport properties of different Fe{sub x}Co{sub 1−x}S{sub 2} films has been investigated. Whereas the Seebeck coefficient is hardly modified, the film resistivity is drastically decreased when temperature increases what has been attributed to the thermal activation of electrical carriers. The influence of Co doping on the band scheme of FeS{sub 2} is shown. To this aim, donor and acceptor states are included into its forbidden gap. Whereas the band scheme of FeS{sub 2} exhibits an acceptor level with an E = 0.11 ± 0.03 eV above the top of the valence band due to iron vacancies, a wide donor level close to the bottom of the conduction band (E = 0.08 ± 0.05 eV) is created by the progressive replacement of iron by cobalt into the FeS{sub 2} lattice. - Highlights: • Thermoelectric properties of pyrite and Co-doped pyrite thin films were measured. • Whereas ρ decreases, S remains practically unaltered on increasing temperature (RT-300 °C). • On increasing Co-concentration, films exhibit a p semiconductor to n type semimetal conversion. • Donor states close to the botton of the conduction band are created by Co doping. • Energy of the donor level decreases and gets wider due to Co-concentration.

  1. Thermoelectricity in liquid crystals

    Science.gov (United States)

    Mohd Said, Suhana; Nordin, Abdul Rahman; Abdullah, Norbani; Balamurugan, S.

    2015-09-01

    The thermoelectric effect, also known as the Seebeck effect, describes the conversion of a temperature gradient into electricity. A Figure of Merit (ZT) is used to describe the thermoelectric ability of a material. It is directly dependent on its Seebeck coefficient and electrical conductivity, and inversely dependent on its thermal conductivity. There is usually a compromise between these parameters, which limit the performance of thermoelectric materials. The current achievement for ZT~2.2 falls short of the expected threshold of ZT=3 to allow its viability in commercial applications. In recent times, advances in organic thermoelectrics been significant, improving by over 3 orders of magnitude over a period of about 10 years. Liquid crystals are newly investigated as candidate thermoelectric materials, given their low thermal conductivity, inherent ordering, and in some cases, reasonable electrical conductivity. In this work the thermoelectric behaviour of a discotic liquid crystal, is discussed. The DLC was filled into cells coated with a charge injector, and an alignment of the columnar axis perpendicular to the substrate was allowed to form. This thermoelectric behavior can be correlated to the order-disorder transition. A reasonable thermoelectric power in the liquid crystal temperature regime was noted. In summary, thermoelectric liquid crystals may have the potential to be utilised in flexible devices, as a standalone power source.

  2. Thermoelectric single-photon detector

    International Nuclear Information System (INIS)

    Kuzanyan, A A; Petrosyan, V A; Kuzanyan, A S

    2012-01-01

    The ability to detect a single photon is the ultimate level of sensitivity in the measurement of optical radiation. Sensors capable of detecting single photons and determining their energy have many scientific and technological applications. Kondo-enhanced Seebeck effect cryogenic detectors are based on thermoelectric heat-to-voltage conversion and voltage readout. We evaluate the prospects of CeB 6 and (La,Ce)B 6 hexaboride crystals for their application as a sensitive element in this type of detectors. We conclude that such detectors can register a single UV photon, have a fast count rate (up to 45 MHz) and a high spectral resolution of 0.1 eV. We calculate the electric potential generated along the thermoelectric sensor upon registering a UV single photon.

  3. Ground state properties and thermoelectric behavior of Ru{sub 2}VZ (Z=Si, ge, sn) half-metallic ferromagnetic full-Heusler compounds

    Energy Technology Data Exchange (ETDEWEB)

    Yalcin, Battal Gazi

    2016-06-15

    The ground state properties namely structural, mechanical, electronic and magnetic properties and thermoelectric behavior of Ru{sub 2}VZ (Z=Si, Ge and Sn) half-metallic ferromagnetic full-Heusler compounds are systematically investigated. These compounds are ferromagnetic and crystallize in the Heusler type L2{sub 1} structure (prototype: Cu{sub 2}MnAl, Fm-3m 225). This result is confirmed for Ru{sub 2}VSi and Ru{sub 2}VSn by experimental work reported by Yin and Nash using high temperature direct reaction calorimetry. The studied materials are half-metallic ferromagnets with a narrow direct band gap in the minority spin channel that amounts to 31 meV, 66 meV and 14 meV for Ru{sub 2}VSi, Ru{sub 2}VGe, and Ru{sub 2}VSn, respectively. The total spin magnetic moment (M{sub tot}) of the considered compounds satisfies a Slater–Pauling type rule for localized magnetic moment systems (M{sub tot}=(N{sub V}−24)µ{sub B}), where N{sub V}=25 is the number of valence electrons in the primitive cell. The Curie temperature within the random phase approximation (RPA) is found to be 23 K, 126 K and 447 K for Ru{sub 2}VSi, Ru{sub 2}VGe and Ru{sub 2}VSn, respectively. Semi-classical Boltzmann transport theories have been used to obtain thermoelectric constants, such as Seebeck coefficient (S), electrical (σ/τ) and thermal conductivity (κ/τ), power factor (PF) and the Pauli magnetic susceptibility (χ). ZT{sub MAX} values of 0.016 (350 K), 0.033 (380 K) and 0.063 (315 K) are achieved for Ru{sub 2}VSi, Ru{sub 2}VGe and Ru{sub 2}VSn, respectively. It is expected that the obtained results might be a trigger in future experimentally interest in this type of full-Heusler compounds. - Graphical abstract: Temperature dependence of figure of merit for Ru{sub 2}VZ (Z=Si, Ge, and Sn) compounds. - Highlights: • The ground state and thermoelectric properties are reported for the first time. • Ru{sub 2}VZ are found to be a half-metallic ferromagnetic full Heusler compound. • The

  4. Holistic quantum design of thermoelectric niobium oxynitride

    Science.gov (United States)

    Music, Denis; Bliem, Pascal; Hans, Marcus

    2015-06-01

    We have applied holistic quantum design to thermoelectric NbON (space group Pm-3m). Even though transport properties are central in designing efficient thermoelectrics, mechanical properties should also be considered to minimize their thermal fatigue during multiple heating/cooling cycles. Using density functional theory, elastic constants of NbON were predicted and validated by nanoindentation measurements on reactively sputtered thin films. Based on large bulk-to-shear modulus ratio and positive Cauchy pressure, ceramic NbON appears ductile. These unusual properties may be understood by analyzing the electronic structure. Nb-O bonding is of covalent-ionic nature with metallic contributions. Second neighbor O-N bonds exhibit covalent-ionic character. Upon shear loading, these O-N bonds break giving rise to easily shearable planes. Ductile NbON, together with large Seebeck coefficient and low thermal expansion, is promising for thermoelectric applications.

  5. A Review on the Fabrication of Polymer-Based Thermoelectric Materials and Fabrication Methods

    Science.gov (United States)

    Kamarudin, Muhammad Akmal; Sahamir, Shahrir Razey; Datta, Robi Shankar; Long, Bui Duc; Mohd Sabri, Mohd Faizul; Mohd Said, Suhana

    2013-01-01

    Thermoelectricity, by converting heat energy directly into useable electricity, offers a promising technology to convert heat from solar energy and to recover waste heat from industrial sectors and automobile exhausts. In recent years, most of the efforts have been done on improving the thermoelectric efficiency using different approaches, that is, nanostructuring, doping, molecular rattling, and nanocomposite formation. The applications of thermoelectric polymers at low temperatures, especially conducting polymers, have shown various advantages such as easy and low cost of fabrication, light weight, and flexibility. In this review, we will focus on exploring new types of polymers and the effects of different structures, concentrations, and molecular weight on thermoelectric properties. Various strategies to improve the performance of thermoelectric materials will be discussed. In addition, a discussion on the fabrication of thermoelectric devices, especially suited to polymers, will also be given. Finally, we provide the challenge and the future of thermoelectric polymers, especially thermoelectric hybrid model. PMID:24324378

  6. Lead telluride with increased mechanical stability for cylindrical thermoelectric generators

    International Nuclear Information System (INIS)

    Schmitz, Andreas

    2013-01-01

    The aim of this work is to improve the mechanical stability of lead telluride (PbTe), trying to vary its mechanical properties independently from its thermoelectric properties. Thus the influence of material preparation as well as different dopants on the mechanical and thermoelectric properties of lead telluride is being analysed. When using appropriately set process parameters, milling and sintering of lead telluride increases the material's hardness. With sintering temperatures exceeding 300 C stable material of high relative density can be achieved. Milling lead telluride generates lattice defects leading to a reduction of the material's charge carrier density. These defects can be reduced by increased sintering temperatures. Contamination of the powder due to the milling process leads to bloating during thermal cycling and thus reduced density of the sintered material. In addition to that, evaporation of tellurium at elevated temperatures causes instability of the material's thermoelectric properties. Based on the experimental results obtained in this work, the best thermoelectric and mechanical properties can be obtained by sintering coarse powders at around 400 C. Within this work a concept was developed to vary the mechanical properties of lead telluride via synthesis of PbTe with electrically nondoping elements, which thus may keep the thermoelectric properties unchanged. Therefore, the mechanical and thermoelectric properties of Pb 1-x Ca x Te were investigated. Doping pure PbTe with calcium causes a significant increase of the material's hardness while only slightly decreasing the charge carrier density and thus keeping the thermoelectric properties apart from a slight reduction of the electrical conductivity nearly unchanged. The abovementioned concept is proven using sodium doped lead telluride, as it is used for thermoelectric generators: The additional doping with calcium again increases the material's hardness while its thermoelectric properties

  7. Optimal operation of thermoelectric cooler driven by solar thermoelectric generator

    International Nuclear Information System (INIS)

    Khattab, N.M.; El Shenawy, E.T.

    2006-01-01

    The possibility of using a solar thermoelectric generator (TEG) to drive a small thermoelectric cooler (TEC) is studied in the present work. The study includes the theory of both the TEG and the TEC, giving special consideration to determination of the number of TEG modules required to power the TEC to achieve the best performance of the TEG-TEC system all year round. Commercially available thermoelectric modules (TE) are used in the system. The TEG contains 49 thermocouples and the TEC contains 127 thermocouples. A simple arrangement of plane reflectors that are designed to receive maximum solar energy during noon time is used to heat the TEG. Performance tests are conducted to determine both the physical properties and the performance curves of the available TE modules. Also, empirical relations describing the performance of the TEG and TEC modules have been established. These relations are used to develop a mathematical model simulating the TEG-TEC system to predict its performance all year round under the actual climatic conditions of Cairo, Egypt (30 deg. N latitude). The model results are used to determine the number of TEG modules required to drive a single TEC module at maximum cooling capacity. The results show that five thermocouples of the TEG can drive one thermocouple of the TEC, which coincides with the previous theory of the TEG-TEC. This means that 10 of the used TEG modules are required to power the used TEC at optimum performance most times of the year

  8. Evolution of Thermoelectric Properties of Zn4Sb3 Prepared by Mechanical Alloying and Different Consolidation Routes

    Directory of Open Access Journals (Sweden)

    Pee-Yew Lee

    2018-05-01

    Full Text Available In this research, a method combining the mechanical alloying with the vacuum sintering or hot pressing was adopted to obtain the compact of β-Zn4Sb3. Pure zinc and antimony powders were used as the starting material for mechanical alloying. These powders were mixed in the stoichiometry ratio of 4 to 3, or more Zn-rich. Single phase Zn4Sb3 was produced using a nominally 0.6 at. % Zn rich powder. Thermoelectric Zn4Sb3 bulk specimens have been fabricated by vacuum sintering or hot pressing of mechanically alloyed powders at various temperatures from 373 to 673 K. For the bulk specimens sintering at high temperature, phase transformation of β-Zn4Sb3 to ZnSb and Sb was observed due to Zn vaporization. However, single-phase Zn4Sb3 bulk specimens with 97.87% of theoretical density were successfully produced by vacuum hot pressing at 473 K. Electric resistivity, Seebeck coefficient, and thermal conductivity were evaluated for the hot pressed specimens from room temperature to 673 K. The results indicate that the Zn4Sb3 shows an intrinsic p-type behavior. The increase of Zn4Sb3 phase ratio can increase Seebeck coefficient but decrease electric conductivity. The maximum power factor and figure of merit (ZT value were 1.31 × 10−3 W/mK2 and 0.81 at 600 K, respectively. The ZT value was lower than that reported in the available data for materials prepared by conventional melt growth and hot pressed methods, but higher than the samples fabricated by vacuum melting and heat treatment techniques.

  9. Creep properties of forged 2219 T6 aluminum alloy shell of general-purpose heat source-radioisotope thermoelectric generator

    International Nuclear Information System (INIS)

    Hammond, J.P.

    1981-12-01

    The shell (2219 T6 aluminum forging) of the General Purpose Heat Source-Radioisotope Thermoelectric Generator was designed to retain the generator under sufficient elastic stress to secure it during space flight. A major concern was the extent to which the elastic stress would relax by creep. To determine acceptability of the shell construction material, the following proof tests simulating service were performed: 600 h of testing at 270 0 C under 24.1 MPa stress followed by 10,000 h of storage at 177 0 C under 55.1 MPa, both on the ground; and 10,000 h of flight in space at 270 0 C under 34.4 MPa stress. Additionally, systematic creep testing was performed at 177 and 260 0 C to establish creep design curves. The creep tests performed at 177 0 C revealed comparatively large amounts of primary creep followed by small amounts of secondary creep. The early creep is believed to be abetted by unstable substructures that are annealed out during testing at this temperature. The creep tests performed at 270 0 C showed normal primary creep followed by large amounts of secondary creep. Duplicate proof tests simulating the ground exposure conditions gave results that were in good agreement. The proof test simulating space flight at 270 0 C gave 0.11% primary creep followed by 0.59% secondary creep. About 10% of the second-stage creep was caused by four or five instantaneous strains, which began at the 4500-h mark. One or two of these strain bursts, occurred in each of several other tests at 177 and 260 0 C but were assessed as very moderate in magnitude. The effect is attributable to a slightly microsegregated condition remaining from the original cast structure

  10. Enhancement of Thermoelectric Performances in a Topological Crystal Insulator Pb0.7Sn0.3Se via Weak Perturbation of the Topological State and Chemical Potential Tuning by Chlorine Doping.

    Science.gov (United States)

    Lin, Chan-Chieh; Kim, Gareoung; Ginting, Dianta; Ahn, Kyunghan; Rhyee, Jong-Soo

    2018-04-04

    Topological insulators generally share commonalities with good thermoelectric (TE) materials because of their narrow band gaps and heavy constituent elements. Here, we propose that a topological crystalline insulator (TCI) could exhibit a high TE performance by breaking its crystalline symmetry and tuning the chemical potential by elemental doping. As a candidate material, we investigate the TE properties of the Cl-doped TCI Pb 0.7 Sn 0.3 Se. The infrared absorption spectra reveal that the band gap is increased from 0.055 eV for Pb 0.7 Sn 0.3 Se to 0.075 eV for Pb 0.7 Sn 0.3 Se 0.99 Cl 0.01 , confirming that the Cl doping can break the crystalline mirror symmetry of a TCI Pb 0.7 Sn 0.3 Se and thereby enlarge its bulk electronic band gap. The topological band inversion is confirmed by the extended X-ray absorption fine structure spectroscopy, which shows that the TCI state is weakened in a chlorine x = 0.05-doped compound. The small gap opening and partial linear band dispersion with massless and massive bands may have a high power factor (PF) for high electrical conductivity with an enhancement of the Seebeck coefficient. As a result, Pb 0.7 Sn 0.3 Se 0.99 Cl 0.01 shows a considerably enhanced ZT of 0.64 at 823 K, which is about 1200% enhancement in ZT compared with that of the undoped Pb 0.7 Sn 0.3 Se. This work demonstrates that the optimal n-type Cl doping tunes the chemical potential together with breaking the state of the TCI, suppresses the bipolar conduction at high temperatures, and thereby enables the Seebeck coefficient to increase up to 823 K, resulting in a significantly enhanced PF at high temperatures. In addition, the bipolar contribution to thermal conductivity is effectively suppressed for the Cl-doped samples of Pb 0.7 Sn 0.3 Se 1- x Cl x ( x ≥ 0.01). We propose that breaking the crystalline mirror symmetry in TCIs could be a new research direction for exploring high-performance TE materials.

  11. Thermoelectric properties of c-GeSb{sub 0.75}Te{sub 0.5} to h-GeSbTe{sub 0.5} thin films through annealing treatment effects

    Energy Technology Data Exchange (ETDEWEB)

    Vora-ud, Athorn, E-mail: athornvora-ud@snru.ac.th [Program of Physics, Faculty of Science and Technology, Sakon Nakhon Rajabhat University, Mueang District, Sakon Nakhon 47000 (Thailand); Thermoelectrics Research Center, Research and Development Institution, Sakon Nakhon Rajabhat University, Mueang District, Sakon Nakhon 47000 (Thailand); Horprathum, Mati, E-mail: mati.horprathum@nectec.or.th [National Electronics and Computer Technology Center, National Science and Technology Development Agency, Pathumthani 12120 (Thailand); Eiamchai, Pitak [National Electronics and Computer Technology Center, National Science and Technology Development Agency, Pathumthani 12120 (Thailand); Muthitamongkol, Pennapa; Chayasombat, Bralee; Thanachayanont, Chanchana [National Metal and Materials Technology Center, National Science and Technology Development Agency, Pathumthani 12120 (Thailand); Pankiew, Apirak [National Electronics and Computer Technology Center, National Science and Technology Development Agency, Pathumthani 12120 (Thailand); Klamchuen, Annop [National Nanotechnology Center, National Science and Technology Development Agency, Pathumthani 12120 (Thailand); Naenkieng, Daengdech; Plirdpring, Theerayuth; Harnwunggmoung, Adul [Thermoelectric and Nanotechnology Research Center, Faculty of Science and Technology, Rajamangala University of Technology Suvarnabhumi, Huntra Phranakhon, Si Ayutthaya 13000 (Thailand); Charoenphakdee, Anek [NANO-Thermoelectrics Research Center, Division of Applied Physics, Faculty of Sciences and Liberal Arts, Rajamangala University of Technology Isan, Mueng Nakorn Ratchasima 30000 Thailand (Thailand); Somkhunthot, Weerasak [Program of Physics, Faculty of Science and Technology, Loei Rajabhat University, Muang District, Loei 42000 (Thailand); and others

    2015-11-15

    Germanium–Antimony–Tellurium (Ge–Sb–Te) thin films were deposited on silicon wafers with 1-μm silicon dioxide (SiO{sub 2}/Si) by pulsed dc magnetron sputtering from a 99.99% GeSbTe target of 1:1:1 ratio at ambient temperature. The samples were annealed at 573, 623, 673, and 723 K for 3600 s in a vacuum state. The effects of the annealing treatment on phase identification, atomic composition, morphology and film thickness, carrier concentration, mobility, and Seebeck coefficient of the Ge–Sb–Te samples have been investigated by grazing-incidence X-ray diffraction, auger electron spectroscopy, field-emission scanning electron microscopy, Hall-effect measurements, and steady state method, respectively. The results demonstrated that the as-deposited Ge–Sb–Te sample was amorphous. Atomic composition of as-deposited and annealed films at 573 K and 623 K were GeSb{sub 0.75}Te{sub 0.5} while annealed films at 673 K and 723 K were GeSbTe{sub 0.5} due to Sb-rich GeSb{sub 0.75}Te{sub 0.5}. The samples annealed at 573 K and 623 K showed the crystal phases of cubic structure (c-GeSb{sub 0.75}Te{sub 0.5}) into hexagonal structure (h-GeSbTe{sub 0.5}) after annealing at 673 K and 723 K. The study demonstrated the insulating condition from the as-deposited GeSbTe film, and the changes towards the thermoelectric properties from the annealing treatments. The GeSbTe films annealed at 673 K yielded excellent thermoelectric properties with the electrical resistivity, Seebeck coefficient, and power factor at approximately 1.45 × 10{sup −5} Ωm, 71.07 μV K{sup −1}, and 3.48 × 10{sup −4} W m{sup −1} K{sup −2}, respectively. - Highlights: • GeSbTe thin films were successfully sputtered for thermoelectric properties. • GeSbTe films were examined among physical, electrical and thermoelectric properties. • Thermoelectric properties were discussed based on composition of the films.

  12. Impact of Ni substitution on structural, electrical and thermoelectric properties of zinc aluminium chromites synthesized by sol-gel route and their photocatalytic investigation

    Energy Technology Data Exchange (ETDEWEB)

    Patil, Seema Pandurang; Helavi, Vasant Baburao [Department of chemistry, Rajaram college, Maharashtra (India); Sanadi, Kallappa Ramchandra, E-mail: sanadikishor@gmail.com [Department of chemistry, Doodhsakhar Mahavidyalaya, Maharashtra (India)

    2017-11-15

    Nanostructured nickel substituted zinc aluminium chromites (Zn{sub 1-x}Ni{sub x} AlCrO{sub 4}, where, x= 0.0, 0.25, 0.50, 0.75, 1.0) were prepared by simple, cost effective, sol-gel auto combustion method. Temperature of phase formation was analyzed by thermogravimetric and differential thermal analysis (TGA/DTA). Crystallographic studies of all the samples show formation of single cubic spinel phase only. The lattice parameter, crystallite size and X-ray density decreases with increase in Nickel content. The surface morphology of Zn1{sub -x}Ni{sub x} AlCrO{sub 4} shows spherical inter linked morphology while elemental studies show desired composition. The nanosize of the synthesized material was confirmed by transmission electron microscopy (TEM) which was lies in between 19-25 nm. The DC conductivity as well as thermoelectric power studies of the samples reveals their semiconducting nature. The nanocrystalline chromite has optimal charge separation, which make them to enhance their photocatalytic efficiency. 0.100gm palladium loaded nickel aluminium chromite shows excellent mineralization in water. (author)

  13. Synthesis and thermoelectric properties of fine-grained FeVSb system half-Heusler compound polycrystals with high phase purity

    International Nuclear Information System (INIS)

    Zou Minmin; Li Jingfeng; Guo Peijun; Kita, Takuji

    2010-01-01

    Nearly single-phased FeVSb half-Heusler compound thermoelectric materials with fine grains of diameter 100-200 nm were prepared from their elemental powders by combining mechanical alloying (MA) and spark plasma sintering. The resultant bulk samples showed a relatively low room-temperature electrical resistivity on the order of 10 μΩm, and a moderate negative Seebeck coefficient with a maximum value of -175 μV K -1 at 300 0 C. It was found that proper excessive addition of V relative to the stoichiometric composition (FeVSb) during MA enhanced the phase purity and hence the power factor of the spark plasma sintered samples, resulting in a large power factor value of 2480 μW m -1 K -2 when the elemental powders were mixed with the composition FeV 1.15 Sb. Its thermal conductivity was significantly reduced mainly due to refined grain sizes, resulting in a high dimensionless figure of merit ZT of 0.31 at a low-to-mid temperature (300 0 C) as for undoped half-Heusler compounds.

  14. The influence of interfacial defect-region on the thermoelectric properties of nanodiamond-dispersed Bi2Te2.7Se0.3 matrix composites

    Science.gov (United States)

    Min, Tae Sik; Kim, Kyung Tae; Son, Injoon

    2017-09-01

    Nanodiamond-dispersed Bi2Te2.7Se0.3 (ND/BTSe) matrix composites were fabricated by a high energy ball milling followed by spark plasma sintering process. The fabricated ND/BTSe composites show that ND powders with 5 nm in size are dispersed in the BTSe matrix grain rather than agglomerated at the grain boundary. It was found that atomically disordered-lattice structure present nearby the newly formed ND/BTSe interfaces. This interfacial region artificially formed by addition of ND powders plays a role as atomic-scaled defects increasing electron concentration. Electric conductivities of all the ND/BTSe composites show significantly increased values compared to that of pure BTSe in the temperature range from 298 K to 473 K. However, total thermal conductivity of the composites exhibit higher values than the BTSe due to superior electric conductivity even though active lattice phonon scattering at the interfaces affect lowering thermal conductivity. The maximum ZT, 0.97 was obtained from 0.5vol%ND/BTSe composite at 473 K and enhancement in ZT values was clearly revealed above 348 K. Therefore, these results elucidate that addition of ND powders into n-type BTSe matrix is promising method to improve thermoelectric performances.

  15. Thermoelectric properties of thin film and superlattice structure of IV-VI and V-VI compound semiconductors; Thermoelektrische Eigenschaften duenner Schichten und Uebergitterstrukturen von IV-VI- und V-VI-Verbundhalbleitern

    Energy Technology Data Exchange (ETDEWEB)

    Blumers, Mathias

    2012-02-29

    The basic material property governing the efficiency of thermoelectric applications is the thermoelectric figure of merit Z=S{sup 2}.{sigma}/k, where S is the Seebeck-coefficient, {sigma} is the electrical conductivity and k the thermal conductivity. A promising concept of increasing Z by one and two dimensional quantum well superlattices (QW-SL) was introduced in the early 1990s in terms of theoretical predictions. The realization of such low dimensional systems is done by use of semiconductor compounds with different energy gaps. The ambition of the Nitherma project was to investigate the thermoelectric properties of superlattices and Multi-Quantum-Well-structures (MQW) made of Pb{sub 1-x}Sr{sub x}Te and Bi{sub 2}(Se{sub x}Te{sub 1-x}){sub 3}, respectively. Therefore SL- and MQW-structures of this materials were grown and Z was determined by measuring of S, {sigma} and {kappa} parallel to the layer planes. Aim of this thesis is the interpretation of the transport measurements (S,{sigma},{kappa}) of low dimensional structures and the improvement of preparation and measurement techniques. The influence of low dimensionality on the thermal conductivity in SL- and MQW-structures was investigated by measurements on structures with different layer thicknesses. In addition, measurements of the Seebeck-coefficient were performed, also to verify the results of the participating groups.

  16. Effect of preparation procedure and nanostructuring on the thermoelectric properties of the lead telluride-based material system AgPb{sub m}BiTe{sub 2+m} (BLST-m)

    Energy Technology Data Exchange (ETDEWEB)

    Falkenbach, Oliver; Koch, Guenter; Schlecht, Sabine [Institute for Inorganic and Analytical Chemistry, Justus-Liebig-University, Heinrich-Buff-Ring 17, D-35392 Giessen (Germany); Schmitz, Andreas [Institute of Materials Research, German Aerospace Center (DLR), D-51170 Cologne (Germany); Hartung, David; Klar, Peter J. [Institute of Experimental Physics I, Justus-Liebig-University, Heinrich-Buff-Ring 16, D-35392 Giessen (Germany); Dankwort, Torben; Kienle, Lorenz [Institute for Material Science, Christian-Albrechts-University, Kaiserstrasse 2, D-24143 Kiel (Germany); Mueller, Eckhard, E-mail: Eckhard.Mueller@dlr.de [Institute for Inorganic and Analytical Chemistry, Justus-Liebig-University, Heinrich-Buff-Ring 17, D-35392 Giessen (Germany); Institute of Materials Research, German Aerospace Center (DLR), D-51170 Cologne (Germany)

    2016-06-07

    We report on the preparation and thermoelectric properties of the quaternary system AgPb{sub m}BiTe{sub 2+m} (Bismuth-Lead-Silver-Tellurium, BLST-m) that were nanostructured by mechanical alloying. Nanopowders of various compositions were compacted by three different methods: cold pressing/annealing, hot pressing, and short term sintering. The products are compared with respect to microstructure and sample density. The thermoelectric properties were measured: thermal conductivity in the temperature range from 300 K to 800 K and electrical conductivity and Seebeck coefficient between 100 K and 800 K. The compacting method and the composition had a substantial impact on carrier concentration and mobility as well as on the thermoelectric parameters. Room temperature Hall measurements yielded carrier concentrations in the order of 10{sup 19 }cm{sup −3}, slightly increasing with increasing content of the additive silver bismuth telluride to the lead telluride base. ZT values close to the ones of bulk samples were achieved. X-ray diffraction and transmission electron microscopy (TEM) showed macroscopically homogeneous distributions of the constituting elements inside the nanopowders ensembles, indicating a solid solution. However, high resolution transmission electron microscopy (HRTEM) revealed disorder on the nanoscale inside individual nanopowders grains.

  17. Preparation, characterization and thermoelectric properties of a polyaniline matrix Ge{sub 0.94}Pb{sub 0.01}Bi{sub 0.05}Te composite

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Sude; Zeng, Hao; Zhang, Changxing; Liu, Chun; Xu, Qian [Xihua Univ., Chengdu (China). Center for Advanced Materials and Energy; Zhang, Jianjun [Xihua Univ., Chengdu (China). School of Materials Science and Engineering

    2017-11-01

    In times of industrialization, much low temperature waste heat is released and no viable technology exists which can produce electricity from this low energy density heat. So the long sought-after class thermoelectric (TE) material which directly achieves conversion between thermal and electrical energy obtains much attention. However, the traditional TE materials are alloys of inorganic materials and expensive, and most of them have some level of toxicity, so the research on organic TE materials is very important. The polyaniline (PANI, i. e., a conducting polymer) and PANI matrix Ge{sub 0.94}Pb{sub 0.01}Bi{sub 0.05}Te composite material were prepared. The chemical structure, microstructure and thermoelectric properties were investigated by FTIR, XRD, SEM and ZEM. Results showed that the molecule chains in the PANI were not ranged very neatly, and Ge{sub 0.94}Pb{sub 0.01}Bi{sub 0.05}Te in the composite material formed interconnected network as 20 wt.-% Ge{sub 0.94}Pb{sub 0.01}Bi{sub 0.05}Te was added. Power factor of the composite material increased greatly while its ZT was almost two times of PANI. The addition of Ge{sub 0.94}Pb{sub 0.01}Bi{sub 0.05}Te was an effective method to increase the thermoelectric properties of PANI.

  18. Preparation and optimization of thermoelectric properties of Bi2Te3 based alloys using the waste particles as raw materials from the cutting process of the zone melting crystal rods

    Science.gov (United States)

    Xiang, Qiusheng; Fan, Xi'an; Han, Xuewu; Zhang, Chengcheng; Hu, Jie; Feng, Bo; Jiang, Chengpeng; Li, Guangqiang; Li, Yawei; He, Zhu

    2017-12-01

    The p-type Bi2Te3 alloys were prepared using the waste particles from the cutting process of the zone melting crystal rods as the main raw materials by impurity removal process including washing, carbon monoxide reduction and vacuum metallurgical process. The thermoelectric properties of the Bi2Te3 based bulk materials were optimized by component adjustment, second smelting and resistance pressing sintering (RPS) process. All evidences confirmed that most of impurities from the line cutting process and the oxidation such as Sb2O3, Bi2O3 and Bi2Te4O11 could be removed by carbon monoxide reduction and vacuum metallurgical process adopted in this work, and the recycling yield was higher than 97%. Appropriate component adjustment treatment was used to optimize the carrier content and corresponding thermoelectric properties. Lastly, a Bi0.36Sb1.64Te3 bulk was obtained and its power factor (PF) could reach 4.24 mW m-1 K-2 at 300 K and the average PF value was over 3.2 mW m-1 K-2 from 300 K to 470 K, which was equivalent with the thermoelectric performance of the zone melting products from high purity elements Bi, Te and Sb. It was worth mentioning that the recovery process introduced here was a simple, low-cost, high recovery rate and green recycling technology.

  19. Thermoelectric properties of unoxidized graphene/Bi{sub 2}Te{sub 2.7}Se{sub 0.3} composites synthesized by exfoliation/re-assembly method

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jin Il; Lee, Eun Sil; Kim, Jong-Young [Icheon Branch, Korea Institute of Ceramic Engineering and Technology, Gyeonggi-do (Korea, Republic of); Choi, Soon-Mok [School of Energy, Materials and Chemical Engineering, Korea University of Technology and Education, Cheonan (Korea, Republic of); Lee, Kyu Hyoung [Materials R and D Center, Samsung Advanced Institute of Technology, Yongin (Korea, Republic of); Seo, Won-Seon [Energy and Environmental Division, Korea Institute of Ceramic Engineering and Technology, Seoul (Korea, Republic of)

    2014-04-15

    Nanocomposites of n-type thermoelectric Bi{sub 2}Te{sub 2.7}Se{sub 0.3} (BTS) and unoxidized graphene (UG) were prepared from the exfoliated BTS and UG nanoplatelets. Polycrystalline BTS ingots were exfoliated into nanoscroll-type crystals by chemical exfoliation, and were re-assembled with UG nanoplatelets. The composites were chemically reduced by hydrazine hydrate and sintered by a spark-plasma-sintering method. The thermoelectric properties of the sintered composites were evaluated and exhibited decreased carrier concentration and increased thermal conductivity due to the embedded graphene. The peak ZT values for the UG/BTS-US and UG/BTS-EX composites were ∝0.8 at the UG concentration of 0.05 wt%. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  20. Magneto-transport and thermoelectric properties of La0.8-xBixCa0.2MnO3 manganites

    International Nuclear Information System (INIS)

    Manjunatha, S.O.; Rao, Ashok

    2015-01-01

    In the present work, we report the studies on the magneto-transport and thermoelectric properties of La 0.8-x Bi x Ca 0.2 MnO 3 (x = 0.00, 0.05, 0.10) manganites. The samples were prepared using the conventional solid state reaction method. Structural characterization has done using XRD. Rietveld refinement technique has confirmed the single phase formation of the samples with no impurity peaks observed within experimental limits. SEM micrograph confirms the formation of grains with good intimacy. The cell parameters and the unit cell volume is observed to decrease with increasing Bi concentration. It is attributed to the smaller ionic size of Bi compare to La. Magneto-resistance of the samples are measured using standard four probe technique. The Metal-Insulator transition (TMI) is found to decrease upon doping with overall increase in the resistivity. The observed effect is due to the fact that the Ca ions possibly increases the tendency of screening of 6s 2 orbital of Bi 3+ ions. As orientation of the 6s 2 lone pair toward a surrounding anion (O 2- ) produces a local distortion and as a result, the movement of eg electrons through the Mn-O-Mn bridges, is severely reduced. Resistance of the samples is observed to reduce on application of magnetic field of 8Tesla due to the fact that the magnetic field induces spin alignment and suppress the spin fluctuation resulting in large decrease in resistance. Thermopower measurement shows that all the samples are exhibiting the anomaly of phase transition from metal like behavior in low temperature to insulator like behavior at high temperature. As the temperature increases from 5K the pristine sample exhibit a small positive and nearly constant value of S till 172K. Then the value of S start to increase sharply and reaches a maximum value of ≈41μV/K at 234K and decreases rather sharply on further increase in temperature. The analysis of thermoelectric power data confirmed the validity of small polaron type conduction

  1. Computational study of electronic, optical and thermoelectric properties of X3PbO (X = Ca, Sr, Ba) anti-perovskites

    Science.gov (United States)

    Hassan, M.; Arshad, I.; Mahmood, Q.

    2017-11-01

    We report the structural, electronic, optical and thermoelectric (TE) properties of X3PbO (X = Ca, Sr, Ba) anti-perovskites as a function of X cations belonging to the group IIA. The computations are done by using the most recently introduced modified Becke-Johnson potential. It has been observed that the cubic lattice constant increases as the cations change from Ca to Ba, consequently, the bulk modulus reduces. The bottom of conduction band shows strong hybridization between Pb-6p, O-2p and X-s states, in contrast, valence band maxima are mainly manufactured by Pb-6p states. The anti-perovskites exhibit narrow direct band gap that show an inverse relation to the static real dielectric constants that verifies Penn’s model. In addition, the X cations induced tuning of the absorption edge in the visible and the ultraviolet energy suggest optical device applications. The computed TE parameters have been found sensitive to the X cations and have been demonstrated to be best suited for the TE devices operating at high temperatures.

  2. The effect of simultaneous substitution on the electronic band structure and thermoelectric properties of Se-doped Co3SnInS2 with the Kagome lattice

    Science.gov (United States)

    Fujioka, Masaya; Shibuya, Taizo; Nakai, Junya; Yoshiyasu, Keigo; Sakai, Yuki; Takano, Yoshihiko; Kamihara, Yoichi; Matoba, Masanori

    2014-12-01

    The thermoelectric properties and electronic band structures for Se-doped Co3SnInS2 were examined. The parent compound of this material (Co3Sn2S2) has two kinds of Sn sites (Sn1 and Sn2 sites). The density functional theory (DFT) calculations show that the indium substitution at the Sn2 site induces a metallic band structure, on the other hand, a semiconducting band structure is obtained from substitution at the Sn1 site. However, according to the previous reports, since the indium atom prefers to replace the tin atom at the Sn1 site rather than the Sn2 site, the resistivity of Co3SnInS2 shows semiconducting-like behavior. In this study we have demonstrated that metallic behavior and a decrease in resistivity for Se-doped Co3SnInS2 occurs without suppression of the Seebeck coefficient. From the DFT calculations, when the selenium content is above 0.5, the total crystallographic energy shows that a higher indium occupancy at Sn2 site is more stable. Therefore, it is suggested that the selenium doping suppress the site preference for indium substitution. This is one of the possible explanations for the metallic conductivity observed in Se-doped Co3SnInS2

  3. Thermoelectric properties of p-type sb-doped Cu2SnSe3 near room and mid temperature applications

    Science.gov (United States)

    Prasad, K. Shyam; Rao, Ashok; Chauhan, Nagendra S.; Bhardwaj, Ruchi; Vishwakarma, Avinash; Tyagi, Kriti

    2018-02-01

    In this study, we report low and mid temperature range thermoelectric properties of Sb-substituted Cu2SnSe3 compounds. The Cu2Sn1- x Sb x Se3 (0 ≤ x ≤ 0.04) alloys were prepared using conventional solid-state reaction followed by spark plasma sintering. The crystal structure was characterized using XRD and it reveals that all the samples exhibit cubic structure with space group -4/3m. The electrical transport characteristics indicate degenerate semiconducting behavior. Electrical resistivity was found to follow small polaron hopping (SPH) model in the entire temperature range of investigation. The Seebeck coefficient data reveals that the majority of charge carriers are holes and the analysis of Seebeck coefficient data gives negative values of Fermi energy indicating that the Fermi energy is below the edge of valence band. The electronic contribution ( κ e) for total thermal conductivity is found to be less than 1%. The maximum ZT value of 0.64 is observed for the sample with x = 0.03 (at 700 K) which is approximately 2.3 times that of the pristine sample.

  4. Thermoelectric properties of p-type (Bi{sub 1{minus}x}Sb{sub x}){sub 2}Te{sub 3} fabricated by mechanical alloying process

    Energy Technology Data Exchange (ETDEWEB)

    Jung, B Y; Choi, J S; Oh, T S; Hyun, D B

    1997-07-01

    Thermoelectric properties of polycrystalline (Bi{sub 1{minus}x}Sb{sub x}){sub 2}Te{sub 3} (0.75 {le} x {le} 0.85), fabricated by mechanical alloying and hot pressing methods, have been investigated. Formation of (Bi{sub 0.25}Sb{sub 0.75}){sub 2}Te{sub 3} alloy powder was completed by mechanical alloying for 5 hours at ball-to-material ratio of 5:1, and processing time for (Bi{sub 1{minus}sub x}Sb{sub x}){sub 2}Te{sub 3} formation increased with Sb{sub 2}Te{sub 3} content x. When (Bi{sub 0.25}Sb{sub 0.75}){sub 2}Te{sub 3} was hot pressed at temperatures ranging from 300 C to 550 C for 30 minutes, figure-of-merit increased with hot pressing temperature and maximum value of 2.8 x 10{sup {minus}3}/K could be obtained by hot pressing at 550 C. When hot pressed at 550 C, (Bi{sub 0.2}Sb{sub 0.8}){sub 2}Te{sub 3} exhibited figure-of-merit of 2.92 x 10{sup {minus}3}/K, which could be improved to 2.97 x 10{sup {minus}3}/K with addition of 1 wt% Sb as acceptor dopant.

  5. Thermoelectric and spincaloric properties of epitaxial LaNiO{sub 3}/SrTiO{sub 3} superlattices from first principles

    Energy Technology Data Exchange (ETDEWEB)

    Geisler, Benjamin [FRM II, Technische Universitaet Muenchen, Garching (Germany); Fakultaet fuer Physik, Universitaet Duisburg-Essen, Duisburg (Germany); Blanca-Romero, Ariadna [Imperial College, London (United Kingdom); Pentcheva, Rossitza [Fakultaet fuer Physik, Universitaet Duisburg-Essen, Duisburg (Germany)

    2016-07-01

    Modern layer-by-layer fabrication techniques make it possible to grow epitaxial oxide superlattices with atomic precision. By combining accurate DFT+U calculations to determine the atomic and electronic structure and Boltzmann transport theory we show how a targeted design of the interface composition can be used to optimize the thermoelectric and/or spincaloric properties of LaNiO{sub 3}/SrTiO{sub 3}(001) superlattices. A TiO{sub 2}/LaO interface induces n-type doping, and a (potentially highly spin-polarized) charge current arises solely in-plane in the NiO{sub 2} layers. The out-of-plane resistance is high, since the SrTiO{sub 3} layers act as tunneling barriers. In contrast, a NiO{sub 2}/SrO interface leads to p-type doping. In this case, also the valence band of SrTiO{sub 3} contributes to the transmission, thereby reducing the out-of-plane resistance significantly. Besides this doping effect we find that the interface composition influences the electronic band structure, which leads to a nontrivial behavior of the Seebeck coefficient. Funding by the DFG within TRR 80 (G3 and G8) is acknowledged.

  6. Thermoelectric Properties of the Perovskite-Type Oxide SrTi1-xNbxO3 Synthesized by Solid-State Reaction Method

    Science.gov (United States)

    Khan, Tamal Tahsin; Ur, Soon-Chul

    2018-05-01

    The perovskite-type oxide materials SrTi1-xNbxO3 (X = .02, 0.03, 0.04, 0.05 and 0.06) were synthesized by the conventional solid-state reaction method and the thermoelectric properties in terms of Nb doping at the B-site in the oxides were investigated in this study. The formation of single phase cubic perovskite structure was confirmed by the powder X-ray diffraction analysis. Negative conduction is shown in this materials system. The absolute value of Seebeck coefficient increased with increasing temperature over the measured temperature. The electrical conductivity decreased monotonically with increasing temperature, showing degenerating conduction behavior. The thermal conductivity, k, generally decreased with increasing temperature. The power factor increased with increasing Nb-doping level up to 5.0 mol% and hence the dimensionless figure of merit ZT, increased up to 5.0 mol%. The maximum ZT value was observed for SrTi0.95Nb0.05O3 at 873 K.

  7. Thermoelectric properties of chalcogenide based Cu2+xZnSn1−xSe4

    Directory of Open Access Journals (Sweden)

    Ch. Raju

    2013-03-01

    Full Text Available Quaternary chalcogenide compounds Cu2+xZnSn1−xSe4 (0 ≤ x ≤ 0.15 were prepared by solid state synthesis. Rietveld powder X-ray diffraction (XRD refinements combined with Electron Probe Micro Analyses (EPMA, WDS-Wavelength Dispersive Spectroscopy and Raman spectra of all samples confirmed the stannite structure (Cu2FeSnS4-type as the main phase. In addition to the main phase, small amounts of secondary phases like ZnSe, CuSe and SnSe were observed. Transport properties of all samples were measured as a function of temperature in the range from 300 K to 720 K. The electrical resistivity of all samples decreases with an increase in Cu content except for Cu2.1ZnSn0.9Se4, most likely due to a higher content of the ZnSe. All samples showed positive Seebeck coefficients indicating that holes are the majority charge carriers. The thermal conductivity of doped samples was high compared to Cu2ZnSnSe4 and this may be due to the larger electronic contribution and the presence of the ZnSe phase in the doped samples. The maximum zT = 0.3 at 720 K occurs for Cu2.05ZnSn0.95Se4 for which a high-pressure torsion treatment resulted in an enhancement of zT by 30% at 625 K.

  8. Impact of thermoelectric phenomena on phase-change memory performance metrics and scaling

    International Nuclear Information System (INIS)

    Lee, Jaeho; Asheghi, Mehdi; Goodson, Kenneth E

    2012-01-01

    The coupled transport of heat and electrical current, or thermoelectric phenomena, can strongly influence the temperature distribution and figures of merit for phase-change memory (PCM). This paper simulates PCM devices with careful attention to thermoelectric transport and the resulting impact on programming current during the reset operation. The electrothermal simulations consider Thomson heating within the phase-change material and Peltier heating at the electrode interface. Using representative values for the Thomson and Seebeck coefficients extracted from our past measurements of these properties, we predict a cell temperature increase of 44% and a decrease in the programming current of 16%. Scaling arguments indicate that the impact of thermoelectric phenomena becomes greater with smaller dimensions due to enhanced thermal confinement. This work estimates the scaling of this reduction in programming current as electrode contact areas are reduced down to 10 nm × 10 nm. Precise understanding of thermoelectric phenomena and their impact on device performance is a critical part of PCM design strategies. (paper)

  9. Amorphous-crystalline transition in thermoelectric NbO2

    International Nuclear Information System (INIS)

    Music, Denis; Chen, Yen-Ting; Bliem, Pascal; Geyer, Richard W

    2015-01-01

    Density functional theory was employed to design enhanced amorphous NbO 2 thermoelectrics. The covalent-ionic nature of Nb–O bonding is identical in amorphous NbO 2 and its crystalline counterpart. However, the Anderson localisation occurs in amorphous NbO 2 , which may affect the transport properties. We calculate a multifold increase in the absolute Seebeck coefficient for the amorphous state. These predictions were critically appraised by measuring the Seebeck coefficient of sputtered amorphous and crystalline NbO 2 thin films with the identical short-range order. The first-order phase transition occurs at approximately 550 °C, but amorphous NbO 2 possesses enhanced transport properties at all temperatures. Amorphous NbO 2 , reaching  −173 μV K −1 , exhibits up to a 29% larger absolute Seebeck coefficient value, thereby validating the predictions. (paper)

  10. Phosphorene nanoribbon as a promising candidate for thermoelectric applications

    Science.gov (United States)

    Zhang, J.; Liu, H. J.; Cheng, L.; Wei, J.; Liang, J. H.; Fan, D. D.; Shi, J.; Tang, X. F.; Zhang, Q. J.

    2014-01-01

    In this work, the electronic properties of phosphorene nanoribbons with different width and edge configurations are studied by using density functional theory. It is found that the armchair phosphorene nanoribbons are semiconducting while the zigzag nanoribbons are metallic. The band gaps of armchair nanoribbons decrease monotonically with increasing ribbon width. By passivating the edge phosphorus atoms with hydrogen, the zigzag series also become semiconducting, while the armchair series exhibit a larger band gap than their pristine counterpart. The electronic transport properties of these phosphorene nanoribbons are then investigated using Boltzmann theory and relaxation time approximation. We find that all the semiconducting nanoribbons exhibit very large values of Seebeck coefficient and can be further enhanced by hydrogen passivation at the edge. Taking pristine armchair nanoribbons and hydrogen-passivated zigzag naoribbons with width N = 7, 8, 9 as examples, we calculate the lattice thermal conductivity with the help of phonon Boltzmann transport equation and evaluate the width-dependent thermoelectric performance. Due to significantly enhanced Seebeck coefficient and decreased thermal conductivity, we find that at least one type of phosphorene nanoribbons can be optimized to exhibit very high figure of merit (ZT values) at room temperature, which suggests their appealing thermoelectric applications. PMID:25245326

  11. Silicon nanowire networks for multi-stage thermoelectric modules

    International Nuclear Information System (INIS)

    Norris, Kate J.; Garrett, Matthew P.; Zhang, Junce; Coleman, Elane; Tompa, Gary S.; Kobayashi, Nobuhiko P.

    2015-01-01

    Highlights: • Fabricated flexible single, double, and quadruple stacked Si thermoelectric modules. • Measured an enhanced power production of 27%, showing vertical stacking is scalable. • Vertically scalable thermoelectric module design of semiconducting nanowires. • Design can utilize either p or n-type semiconductors, both types are not required. • ΔT increases with thickness therefore power/area can increase as modules are stacked. - Abstract: We present the fabrication and characterization of single, double, and quadruple stacked flexible silicon nanowire network based thermoelectric modules. From double to quadruple stacked modules, power production increased 27%, demonstrating that stacking multiple nanowire thermoelectric devices in series is a scalable method to generate power by supplying larger temperature gradient. We present a vertically scalable multi-stage thermoelectric module design using semiconducting nanowires, eliminating the need for both n-type and p-type semiconductors for modules

  12. Renewable energy in focus: In5Se5Br, a solid material with promising thermoelectric properties for industrial applications

    International Nuclear Information System (INIS)

    Xhaxhiu, Kledi; Kvarnström, Carita; Damlin, Pia; Bente, Klaus

    2014-01-01

    Highlights: • In 5 Se 5 Br contains indium simultaneously in three different oxidation states. • Bulk sample of In 5 Se 5 Br shows n-type conductivity. • The Seebeck voltage increases linearly with the temperature difference increase. • In bulk In 5 Se 5 Br the resistivity oscillates between 2.6 MΩ and 23 MΩ. • DTA and HT-powder XRD data show incongruent melting of the compound. - Abstract: We obtained via solid state synthesis needle-shaped crystals of In 5 Se 5 Br crystallizing in the space group Pmn2 1 and containing indium simultaneously in three different oxidation states: In + , formal In 2+ and In 3+ . Bulk sample of In 5 Se 5 Br shows n-type conductivity and linear increase of Seebeck voltage with the temperature difference increase. Seebeck voltage of approx. 720 mV is recorded at a temperature difference of 80 K, corresponding to a Seebeck coefficient −8900 μV/K. A voltage increase up to 250 mV is recorded within 10 min upon application of a 27 K temperature difference between the contacts. On-off switching of the heating source unveils repeatable results. Linear I–U behavior with a resistivity of 2.32 × 10 11 Ω is observable for individual needles of In 5 Se 5 Br. In bulk In 5 Se 5 Br the resistivity oscillates between 2.6 MΩ and 23 MΩ. DTA and HT-powder XRD data show incongruent melting to InBr, InSe and In 2 Se 3 at 805 K. The ternary compound expands 1.02% along [0 1 0] showing a coefficient of thermal expansion α b = 2.3(4) × 10 −5 K −1 . Lower expansions of 0.6% and 0.16% along a and c axes corresponding to mean coefficients of thermal expansion of α a ¯ = 1.3(1) × 10 −5 K −1 , α c ¯ = 4.4(5) × 10 −6 K −1 are observed. Thin layer growing of In 5 Se 5 Br on glass substrate with targeted doping/substitutions can improve the sample conductivity, increase the Seebeck coefficient and lower the thermal conductivity making In 5 Se 5 Br a good alternative material for industrial thermoelectric applications

  13. Synthesis and thermoelectric properties of Sb{sub 0.20}CoSb{sub 2.80} skutterudite

    Energy Technology Data Exchange (ETDEWEB)

    Figueirêdo, C.A., E-mail: camila_fig@hotmail.com [Universidade Federal do Rio Grande do Sul, PGCIMAT, Instituto de Física, 91501-970 Porto Alegre, RS (Brazil); Gallas, M.R. [Universidade Federal do Rio Grande do Sul, PGCIMAT, Instituto de Física, 91501-970 Porto Alegre, RS (Brazil); Institute for Multiscale Simulations, Friedrich-Alexander-Universität, Nägelsbachstrasse 49b, 91052 Erlangen (Germany); Zorzi, J.E. [Universidade de Caxias do Sul, Instituto de Materiais Cerâmicos, 95765-000 Bom Princípio, RS (Brazil); Perottoni, C.A. [Universidade Federal do Rio Grande do Sul, PGCIMAT, Instituto de Física, 91501-970 Porto Alegre, RS (Brazil); Universidade de Caxias do Sul, Instituto de Materiais Cerâmicos, 95765-000 Bom Princípio, RS (Brazil)

    2014-06-15

    Highlights: • A HP-HT Sb{sub 0.20}CoSb{sub 2.80} phase was prepared by processing cobalt antimonide at 7.7 GPa and 550 °C, for (at least) 5 min. • The mechanism of formation of this phase involves (i) decomposition of cobalt antimonide into CoSb{sub 2} and Sb, and (ii) insertion of Sb into the remaining cobalt antimonide. • The mechanism of formation is qualitatively different from that responsible for the formation of the high pressure (greater than 20 GPa) phase. - Abstract: Polycrystalline samples of cobalt antimonide (CoSb{sub 2.79}) were submitted to different conditions of pressure, temperature and processing time, in a high-pressure toroidal-type chamber, aiming to maximize the production of the high pressure phase previously observed in experiments with a diamond anvil cell. Rietveld refinements of X-ray powder diffraction data were performed to determine the phase composition and structural parameters. The maximum yield, 89(2) wt.% of Sb{sub x}CoSb{sub 3−x} phase, was obtained at 7.7 GPa, 550 °C and (at least) 5 min of processing time. The mechanism behind the formation of Sb{sub x}CoSb{sub 3−x} at high pressure and high temperature is actually not the same as that previously inferred from experiments at higher pressures (20 GPa) and room temperature with the diamond anvil cell. Indeed, evidences suggest that, at high pressure and high temperature, Sb{sub x}CoSb{sub 3−x} is formed by insertion of Sb resulting from decomposition of cobalt antimonide. Thermal conductivity, Seebeck coefficient and electrical conductivity were estimated for CoSb{sub 2.79} and Sb{sub 0.20}CoSb{sub 2.80}. The thermoelectric figure of merit at room temperature for Sb{sub 0.20}CoSb{sub 2.80} resulted 33% greater than that for CoSb{sub 2.79}.

  14. The effect of charge carrier and doping site on thermoelectric properties of Mg2Sn0.75Ge0.25

    International Nuclear Information System (INIS)

    Saparamadu, Udara; Mao, Jun; Dahal, Keshab; Zhang, Hao; Tian, Fei; Song, Shaowei; Liu, Weishu; Ren, Zhifeng

    2017-01-01

    Mg 2 Sn 0.75 Ge 0.25 has been recently demonstrated to be a promising thermoelectric material for power generation in the temperature range from room temperature to 723 K because of the high power factor of ∼54 μW cm −1  K −2 upon Sb doping to the Sn site. The enhanced density of states effective mass and weak electron scattering from the alloying effect are believed to be the main reasons for the high power factor (PF) and hence high figure of merit (ZT). In this study, it is shown that the right choice of carrier donor also plays an important role in obtaining high power factor. The effect of carrier donors Y and La at Mg-site and Bi and P at Sn-site in Mg 2 Sn 0.75 Ge 0.25 is systematically investigated. It is found that charge donors at the Sn-site are much more effective than at the Mg-site in enhancing PF and ZT. Bi doped Mg 2 Sn 0.73 Bi 0.02 Ge 0.25 shows a peak ZT of ∼1.4 at 673 K, a peak PF of ∼54 μW cm −1  K −2 at 577 K, which resulted in an engineering figure of merit (ZT) eng of ∼0.76 and (PF) eng of ∼2.05 W m −1  K −1 for cold side fixed at 323 K and hot side at 723 K.

  15. Electronic tuning of the transport properties of off-stoichiometric Pb{sub x}Sn{sub 1−x}Te thermoelectric alloys by Bi{sub 2}Te{sub 3} doping

    Energy Technology Data Exchange (ETDEWEB)

    Guttmann, Gilad M. [The Unit of Energy Engineering, Ben-Gurion University of the Negev, Beer-Sheva (Israel); Dadon, David [Department of Materials Engineering, Ben-Gurion University of the Negev, Beer-Sheva (Israel); Gelbstein, Yaniv [The Unit of Energy Engineering, Ben-Gurion University of the Negev, Beer-Sheva (Israel); Department of Materials Engineering, Ben-Gurion University of the Negev, Beer-Sheva (Israel)

    2015-08-14

    The recent energy demands affected by the dilution of conventional energy resources and the growing awareness of environmental considerations had motivated many researchers to seek for novel renewable energy conversion methods. Thermoelectric direct conversion of thermal into electrical energies is such a method, in which common compositions include IV-VI semiconducting compounds (e.g., PbTe and SnTe) and their alloys. For approaching practical thermoelectric devices, the current research is focused on electronic optimization of off-stoichiometric p-type Pb{sub x}Sn{sub 1−x}Te alloys by tuning of Bi{sub 2}Te{sub 3} doping and/or SnTe alloying levels, while avoiding the less mechanically favorable Na dopant. It was shown that upon such doping/alloying, higher ZTs, compared to those of previously reported undoped Pb{sub 0.5}Sn{sub 0.5}Te alloy, were obtained at temperatures lower than 210–340 °C, depending of the exact doping/alloying level. It was demonstrated that upon optimal grading of the carrier concentration, a maximal thermoelectric efficiency enhancement of ∼38%, compared to that of an undoped material, is expected.

  16. Enhancing Thermoelectric Figure-of-Merit of Polycrystalline Na y CoO2 by a Combination of Non-stoichiometry and Co-substitution

    Science.gov (United States)

    Mallick, Md. Mofasser; Vitta, Satish

    2018-06-01

    Co-oxides with a layered structure are of interest for high-temperature thermoelectric applications as they can be tuned to enhance their electrical conductivity while retaining their low thermal conductivity. The figure-of-merit of Na y CoO2 has been enhanced using the combined effects of Na-non-stoichiometry and non-isoelectronic Co-substitution. A series of compounds Na0.7Co1- x Ni x O2 with x ≤ 0.1 have been synthesized using conventional techniques. Structural analysis using x-ray diffraction and Rietveld refinement shows the formation of a γ-NaCoO2-type phase in all the compounds. The presence of a small amount of NiO for x > 0.05 indicates that the solubility limit of Ni in Na0.7CoO2 is 5 at.%. All the compounds have been found to be p-type with the thermopower reaching a maximum of 220 μV K-1 at 1023 K for x = 0.1. The thermopower has been found to vary linearly with temperature for all the compounds; a degenerate metallic behavior. The electrical resistivity varies between 3 and 10 mΩ cm at all temperatures and has a metallic temperature dependence in agreement with the thermopower results. The power factor for the x = 0.1 compound reaches a maximum value of 0.55 mW m-1 K-2 at ˜ 900 K compared to 0.45 mW m-1 K-2 for the compound with no substitution. The thermal conductivity at 1023 K decreases from 1.2 to 0.9 W m-1 K-1 for x = 0.1. These factors lead to an increase of the figure-of-merit, zT, to 0.58 at 1023 K for x = 0.1, an increase of 57% compared to the unsubstituted compound. The magnetic studies show that Na0.7CoO2 is paramagnetic with an antiferromagnetic transition at ˜ 36 K. Substitution of Ni2+ for Co3+ has been found to induce a ferromagnetic-like transition at ˜ 240 K which is suppressed at high fields.

  17. Thermoelectric effects in a rectangular Aharonov-Bohm geometry

    Science.gov (United States)

    Pye, A. J.; Faux, D. A.; Kearney, M. J.

    2016-04-01

    The thermoelectric transport properties of a rectangular Aharonov-Bohm ring at low temperature are investigated using a theoretical approach based on Green's functions. The oscillations in the transmission coefficient as the field is varied can be used to tune the thermoelectric response of the ring. Large magnitude thermopowers are obtainable which, in conjunction with low conductance, can result in a high thermoelectric figure of merit. The effects of single site impurities and more general Anderson disorder are considered explicitly in the context of evaluating their effect on the Fano-type resonances in the transmission coefficient. Importantly, it is shown that even for moderate levels of disorder, the thermoelectric figure of merit can remain significant, increasing the appeal of such structures from the perspective of specialist thermoelectric applications.

  18. Designing high-Performance layered thermoelectric materials through orbital engineering

    DEFF Research Database (Denmark)

    Zhang, Jiawei; Song, Lirong; Madsen, Georg K. H.

    2016-01-01

    Thermoelectric technology, which possesses potential application in recycling industrial waste heat as energy, calls for novel high-performance materials. The systematic exploration of novel thermoelectric materials with excellent electronic transport properties is severely hindered by limited...... insight into the underlying bonding orbitals of atomic structures. Here we propose a simple yet successful strategy to discover and design high-performance layered thermoelectric materials through minimizing the crystal field splitting energy of orbitals to realize high orbital degeneracy. The approach...... naturally leads to design maps for optimizing the thermoelectric power factor through forming solid solutions and biaxial strain. Using this approach, we predict a series of potential thermoelectric candidates from layered CaAl2Si2-type Zintl compounds. Several of them contain nontoxic, low-cost and earth...

  19. Thermoelectric materials and devices made therewith

    International Nuclear Information System (INIS)

    Moore, D.E.

    1985-01-01

    The disclosed invention includes improved devices and materials for thermoelectric conversion, particularly for operation at temperatures of 300 0 C. and below. Disordered p-type semiconductor elements incorporate compound adjuvants of silver and lead to achieve enhanced ''figure of merit'' values and corresponding increased efficiencies of thermoelectric conversion. Similar results are obtained with disordered n-type elements by employing lowered selenium contents, preferably in combination with cuprous bromide. Improved conversion devices include powder pressed elements from one or both of these materials

  20. Alkaline earth filled nickel skutterudite antimonide thermoelectrics

    Science.gov (United States)

    Singh, David Joseph

    2013-07-16

    A thermoelectric material including a body centered cubic filled skutterudite having the formula A.sub.xFe.sub.yNi.sub.zSb.sub.12, where A is an alkaline earth element, x is no more than approximately 1.0, and the sum of y and z is approximately equal to 4.0. The alkaline earth element includes guest atoms selected from the group consisting of Be, Mb, Ca, Sr, Ba, Ra and combinations thereof. The filled skutterudite is shown to have properties suitable for a wide variety of thermoelectric applications.