Ni-doped Bi0.5Sb1.5Te3 single crystal: a potential functional material for thermoelectricity, topological insulator, and optoelectronics

Bano, Sahiba; Govind, Bal; Kumar, Ashish; Misra, Debasmita

doi:10.1007/s10854-020-04128-6

Cited by 11 publications

(5 citation statements)

References 38 publications

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“…These meshes were found to be sufficient for converging the energy to less than 1.0 × 10 –4 eV/atom. The optimized lattice constants of pure BST were determined to be a = b = 4.36 Å and c = 28.44 Å, which are consistent with the experimental values of a = b = 4.30 Å and c = 30.5 Å …”

Section: Experimental Methods and Computational Detailssupporting

confidence: 77%

“…The crystal structure of BST belongs to the rhombohedral system, with the space group R 3̅ m (no.166), as shown in Figure a. The structural optimization and electronic structure calculations of pure BST and W-BST were performed using density functional theory with the projected-augmented-wave (PAW) method, as implemented in the VASP package. − The electron exchange and correlation potential were described by the generalized gradient approximation (GGA) with the Perdew–Burke–Ernzerhof (PBE) functional .…”

Section: Experimental Methods and Computational Detailsmentioning

confidence: 99%

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High-Performance W-Doped Bi_0.5Sb_1.5Te₃ Flexible Thermoelectric Films and Generators

Liu,

Zhang,

Xue

et al. 2024

ACS Appl. Mater. Interfaces

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Bi−Sb−Te-based thermoelectric materials have the best room-temperature thermoelectric properties, but their inherent brittleness and rigidity limit their application in the wearable field. In this study, W-doped p-type Bi 0.5 Sb 1.5 Te 3 (W-BST) thin films were prepared using magnetron sputtering on polyimide substrates to create thermoelectric generators (TEGs). Bending tests showed that the thin film has excellent flexibility and mechanical durability, meeting the flexible requirements of wearable devices. W doping can significantly increase the carrier concentration, Seebeck coefficient, and electrical conductivity of BST thin films. At 300 K, the power factor of the W-BST film is 2.25 times higher than that of the undoped film, reaching 13.75 μW cm −1 K −2 . First-principles calculations showed that W doping introduces significant impurity peaks in the bandgap, in which W d electrons remarkably hybridize with the Sb and Te p electrons, leading to an improved electrical conductivity of BST films. Furthermore, W doping significantly reduces the work function of BST films, thereby improving the carrier mobility. A TEG module fabricated from four layers of W-BST thin films achieved a maximum output power density of 6.91 mW cm −2 at a temperature difference of 60 K. Application tests showed that the flexible TEG module could power a portable clock using the temperature difference between body temperature and room temperature. At a medium temperature of 439 K, the assembled TEG module can provide a stable output voltage of 1.51 V to power a LED. This study demonstrates the feasibility of combining inorganic thermoelectric materials with flexible substrates to create high-performance flexible TEGs.

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Section: Experimental Methods and Computational Detailssupporting

confidence: 77%

Section: Experimental Methods and Computational Detailsmentioning

confidence: 99%

High-Performance W-Doped Bi_0.5Sb_1.5Te₃ Flexible Thermoelectric Films and Generators

Liu,

Zhang,

Xue

et al. 2024

ACS Appl. Mater. Interfaces

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“…16,18,19 The diffraction peak at approximately 27.6 denoted by asterisks may be attributed to (101) planes of elementary Te, indicative of an introduced second-phase peak aer performing the ball-milling more than 4 h. 19,20 With increasing the ball-milling time, the XRD peaks exhibit the line broadening indicative of decreasing crystallite sizes according to the Debye-Scherrer formula. 4,21 3.2 NMR line shapes and relaxation patterns Fig. 2(a) shows 125 Te NMR spectra of the samples before and aer the ball milling.…”

Section: Methodsmentioning

confidence: 99%

NMR probe of suppressed bulk conductivity in the topological insulator Bi_0.5Sb_1.5Te₃

et al. 2022

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“…Finding cost-effective synthesis of environmentally friendlier nanostructured thermoelectrics has become a focus of recent research [16]. Nevertheless, some of the more successful types of thermoelectrics are based on tellurides [17], such as bismuth telluride (Bi 2 Te 3 ) [4-7, [18][19][20][21][22], lead telluride (PbTe) [23][24][25] and germanium telluride (GeTe) [26][27][28][29][30][31]. Skutterudites are another attractive family of thermoelectrics, as they are high mobility semiconductors that chemically and structurally offer many ways of doping and property tuning [1, 32,33].…”

Section: Introductionmentioning

confidence: 99%

SnSe:Kx intermetallic thermoelectric polycrystals prepared by arc-melting

et al. 2022

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Neutron powder diffraction and thermoelectric characterization of SnSe:Kx intermetallic alloys are presented. Nanostructured ingots were prepared by arc-melting elemental tin and selenium along with potassium hydride. Up to x = 0.1 of K can be incorporated into SnSe. Rietveld refinement of the diffractograms locates potassium on the Sn site in the high-temperature Cmcm structure. However, in the low-temperature Pnma structure, K cannot be localized by difference Fourier maps, indicating the incorporation of K in a disordered form in the interlayer space. STEM-EELS indicates the incorporation of K into the SnSe grains. The resistivity upon K-doping at intermediate temperatures decreases by 1–2 orders of magnitude, but at high temperature is higher than the undoped SnSe. The Seebeck coefficient of K-doped SnSe remains p-type and almost temperature independent (400 μV/K for x = 0.1). The ultralow thermal conductivity of undoped SnSe decreases further upon K-doping to below 0.3 W/m K.

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Ni-doped Bi0.5Sb1.5Te3 single crystal: a potential functional material for thermoelectricity, topological insulator, and optoelectronics

Cited by 11 publications

References 38 publications

High-Performance W-Doped Bi_0.5Sb_1.5Te₃ Flexible Thermoelectric Films and Generators

High-Performance W-Doped Bi_0.5Sb_1.5Te₃ Flexible Thermoelectric Films and Generators

NMR probe of suppressed bulk conductivity in the topological insulator Bi_0.5Sb_1.5Te₃

SnSe:Kx intermetallic thermoelectric polycrystals prepared by arc-melting

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Ni-doped Bi0.5Sb1.5Te3 single crystal: a potential functional material for thermoelectricity, topological insulator, and optoelectronics

Cited by 11 publications

References 38 publications

High-Performance W-Doped Bi0.5Sb1.5Te3 Flexible Thermoelectric Films and Generators

High-Performance W-Doped Bi0.5Sb1.5Te3 Flexible Thermoelectric Films and Generators

NMR probe of suppressed bulk conductivity in the topological insulator Bi0.5Sb1.5Te3

SnSe:Kx intermetallic thermoelectric polycrystals prepared by arc-melting

Contact Info

Product

Resources

About

High-Performance W-Doped Bi_0.5Sb_1.5Te₃ Flexible Thermoelectric Films and Generators

High-Performance W-Doped Bi_0.5Sb_1.5Te₃ Flexible Thermoelectric Films and Generators

NMR probe of suppressed bulk conductivity in the topological insulator Bi_0.5Sb_1.5Te₃