Nanostructured CuFeSe2 Eskebornite: An efficient thermoelectric material with ultra-low thermal conductivity

Moorthy, Manojkumar; Bhui, Animesh; Battabyal, Manjusha; Perumal, Suresh

doi:10.1016/j.mseb.2022.115914

Cited by 5 publications

(4 citation statements)

References 43 publications

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“…Recently, materials of InSb [475], CuFeS 2 [476] and CuFeSe 2 [477] have been synthesized by sealing the quartz tube filled with corresponding raw materials under vacuum (10 −6 mbar) followed by subjecting it to heat treatment at proper temperature profiles. It is worth mentioning that, a high zT of 1.3 at 725 K and 1.15 at 685 K was achieved for Bi doped GeTe [123] and Pb doped AgSbSe 2 [478] respectively, whose thermoelectric properties have been studied without undergoing sintering mechanism by directly cutting from ingots in rod and coin shapes (figure 18(a)).…”

Section: Vacuum Sealing-melting Reactionmentioning

confidence: 99%

Physics and technology of thermoelectric materials and devices

Dadhich

Saminathan

Kumari

et al. 2023

J. Phys. D: Appl. Phys.

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The continuous depletion of fossil fuels and the increasing demand for eco-friendly and sustainable energy sources have prompted researchers to look for alternative energy sources. The loss of thermal energy in heat engines (100-350 ºC), coal-based thermal plants (150-700 ºC), heated water pumping in the geothermal process (150-700 ºC), and burning of petrol in the automobiles (150-250 ºC) in form of untapped waste-heat can be directly and/or reversibly converted into usable electricity by means of charge carriers (electrons or holes) as moving fluids using thermoelectric (TE) technology, which works based on typical Seebeck effect. The enhancement in TE conversion efficiency has been a key challenge because of the coupled relation between thermal and electrical transport of charge carriers in a given material. In this review, we have deliberated the physical concepts governing the materials to device performance as well as key challenges for enhancing the TE performance. Moreover, the role of crystal structure in the form of chemical bonding, crystal symmetry, order-disorder and phase transition on charge carrier transport in the material has been explored. Further, this review has also emphasized some insights on various approaches employed recently to improve the TE performance, such as, (i). carrier engineering via band engineering, low dimensional effects, and energy filtering effects and (ii). Phonon engineering via doping/alloying, nano-structuring, embedding secondary phases in the matrix and microstructural engineering. Wehave also briefed the importance of magnetic elements on thermoelectric properties of the selected materials and spin Seebeck effect. Furthermore, the design and fabrication of TE modules and their major challenges are also discussed. As, thermoelectric figure of merit, zT does not have any theoretical limitation, an ideal high performance thermoelectric device should consist of low-cost, eco-friendly, efficient, n- or p-type materials that operate at wide- temperature range and similar coefficients of thermal expansion, suitable contact materials, less electrical/ thermal losses and constant source of thermal energy. Overall, this review provides the recent physical concepts adopted and fabrication procedures of TE materials and device so as to improve the fundamental understanding and to develop a promising TE device.

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Section: Vacuum Sealing-melting Reactionmentioning

confidence: 99%

Physics and technology of thermoelectric materials and devices

Dadhich

Saminathan

Kumari

et al. 2023

J. Phys. D: Appl. Phys.

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“…Among sulfide-related minerals, chalcopyrite (CuFeS 2 ) is examined to be a potential n-type thermoelectric candidate in the intermediate-temperature range of 400−673 K. 14 Furthermore, the eco-friendly and cost-effective p-type CuFeSe 2 has recently received a lot of attention. 15 Typically, CuFeS 2 crystallizes into a tetragonal crystal structure with space group I4̅ 2d, where the cubic zinc-blende structure is superimposed on this crystal structure (see Figure 1a), and copper (Cu) and iron (Fe) cations replace zinc in tetrahedral 4a and 4b sites. 16 CuFeS 2 is crystallized in the presence of inherently formed sulfur vacancies (V ̈S), 17 perhaps with the ionic states of Cu 1+ , Fe 3+ , and S 2− .…”

Section: Introductionmentioning

confidence: 99%

Sulfur Vacancy-Driven Band Splitting and Phonon Anharmonicity Enhance the Thermoelectric Performance in n-Type CuFeS₂

Moorthy,

Govindaraj,

Parasuraman

et al. 2024

ACS Appl. Energy Mater.

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Ternary chalcogenides of CuFeS 2−x (x = 0.00−0.20) chalcopyrites were synthesized via vacuum melting reaction/ uniaxial hot pressing, and their thermoelectrical properties were investigated at temperatures ranging from 315 to 605 K. The crystal structures and microstructures of all samples were examined using powder X-ray diffraction and scanning electron microscopy, respectively. X-ray photoelectron spectroscopy (XPS) was utilized to validate the oxidation states of Cu 1+ , Fe 3+ , and S 2− in CuFeS 2−x . As sulfur vacancy increased, the power factor, S 2 σ, increased from ∼0.18 mW/mK 2 for CuFeS 2 to ∼0.20 mW/mK 2 for CuFeS 1.8 at 605 K due to an increase in the carrier concentration, as evidenced by theoretical calculations using density functional theory (DFT). Additionally, the total thermal conductivity, κ total , was significantly reduced from ∼2.26 to ∼0.83 W/mK at 605 K for the compositions of CuFeS 2 and CuFeS 1.8 , respectively, owing to the enhanced phonon scattering from the strong acoustic phonon coupling, Umklapp process, and sulfur vacancy-driven low group velocity. Consequently, the sulfur-deficient CuFeS 1.8 sample exhibited the highest thermoelectric figure of merit, zT, of 0.14 at 605 K with a notably high hardness of 158 Hv, proving that it is an efficient thermoelectric material for intermediate temperatures.

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“…For instance, materials belonging to such category, especially, SnSe, Bi 2 Te 3 , In 4 Se 3 , GeSe, Cu 2 CdSnSe 4 , and BiCuSeO, are well-known for their superior thermoelectric performance. Additionally, the n - and p -type eco-friendly and cost-effective I–III–VI 2 class of materials, such as CuFeS 2 , and CuFeSe 2 , have shown great attention due to their considerably high thermoelectric performance. Alternatively, these kinds of materials have led to the discovery of multicomponent materials for exploring their thermoelectric performance.…”

Section: Introductionmentioning

confidence: 99%

Enhanced Thermoelectric Performance and Mechanical Property in Layered Chalcostibite CuSb_1–xPb_xSe₂

Moorthy

Srinivasan

Berthebaud

et al. 2023

ACS Appl. Energy Mater.

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In this work, the thermoelectric properties of p-type layered chalcostibite CuSb 1−x Pb x Se 2 (x = 0−0.10) compounds prepared by vacuum melting reaction and uniaxial hot press, have been studied in the temperature range of 323−623 K. Further, aliovalent Pb 2+ doping at Sb 3+ site in CuSbSe 2 notably increases the hole concentration due to its acceptor nature and thereby enhances the electrical conductivity, σ. Importantly, a huge reduction in total thermal conductivity, κ total has been noticed, from ∼1.7 W/mK (pristine CuSbSe 2 ) to ∼0.72 W/mK at 323 K for CuSb 0.90 Pb 0.10 Se 2 owing to increased phonon scattering from the introduced point defects and mass-difference between Pb and Sb. As a result, the thermoelectric figure of merit, zT, has been enhanced to ∼0.27 at 623 K for the composition of CuSb 0.90 Pb 0.10 Se 2 , which is 3-fold higher than that of the undoped CuSbSe 2 . Further, the hardness value achieved was ∼125.54 Hv, which is significantly higher than the most of the state-of-the-art materials, indicating it to be an efficient thermoelectric material for intermediate temperature.

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Nanostructured CuFeSe2 Eskebornite: An efficient thermoelectric material with ultra-low thermal conductivity

Cited by 5 publications

References 43 publications

Physics and technology of thermoelectric materials and devices

Physics and technology of thermoelectric materials and devices

Sulfur Vacancy-Driven Band Splitting and Phonon Anharmonicity Enhance the Thermoelectric Performance in n-Type CuFeS₂

Enhanced Thermoelectric Performance and Mechanical Property in Layered Chalcostibite CuSb_1–xPb_xSe₂

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Nanostructured CuFeSe2 Eskebornite: An efficient thermoelectric material with ultra-low thermal conductivity

Cited by 5 publications

References 43 publications

Physics and technology of thermoelectric materials and devices

Physics and technology of thermoelectric materials and devices

Sulfur Vacancy-Driven Band Splitting and Phonon Anharmonicity Enhance the Thermoelectric Performance in n-Type CuFeS2

Enhanced Thermoelectric Performance and Mechanical Property in Layered Chalcostibite CuSb1–xPbxSe2

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Product

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Sulfur Vacancy-Driven Band Splitting and Phonon Anharmonicity Enhance the Thermoelectric Performance in n-Type CuFeS₂

Enhanced Thermoelectric Performance and Mechanical Property in Layered Chalcostibite CuSb_1–xPb_xSe₂