Untersuchung der Phasenbeziehungen in quaternären Systemen Bi2O3/Bi2Ch′3/Bi2Ch{′′}3 (Ch = S, Se, Te)

Schmidt, Peer; Rademacher, О.; Oppermann, H.

doi:10.1002/(sici)1521-3749(199902)625:2<255::aid-zaac255>3.0.co;2-6

Cited by 14 publications

(8 citation statements)

References 5 publications

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“…These results are in good agreement with experimental values reported by Schmidt, a exp = 3.88 Å and c exp = 12.16 Å. 19 Strain engineering is a mature technique for controlling the electronic properties of nanoscale semiconductors in industry, where mechanical strain can be imposed by microelectromechanical systems (MEMS). To study the effect of strain on the atomic structure and electronic properties of Bi 2 O 2 Se, we impose inplane strain (a and b lattices) to the bulk material.…”

Section: Resultssupporting

confidence: 89%

Strain Effects To Optimize Thermoelectric Properties of Doped Bi₂O₂Se via Tran–Blaha Modified Becke–Johnson Density Functional Theory

Guo

et al. 2013

J. Phys. Chem. C

120

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Electronic and transport properties of Bi2O2Se under strain are calculated using Tran–Blaha modified Becke–Johnson (TB-mBJGGA) potential and semiclassical Boltzmann transport theories. The electronic band gap decreases with tensile and compressive in-plane strain. We predict that the n-type Seebeck coefficient can be increased under compressive in-plane strain, while the p-type Seebeck coefficient can be increased under tensile in-plane strain. Further, the power factor of n-type doping Bi2O2Se can be increased under compressive in-plane strain, while that of p-type doping Bi2O2Se can be increased under tensile in-plane strain. For p-type doping Bi2O2Se, large thermoelectric figure of merit (ZT ≈ 1.42) could be obtained under tensile strain (2.3%) at 800 K. Moreover, a higher ZT ≈ 1.76 could be achieved along the ZZ direction. This study demonstrates that the electronic and thermoelectric properties can be controlled by strain engineering in thermoelectric material.

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Section: Resultssupporting

confidence: 89%

Strain Effects To Optimize Thermoelectric Properties of Doped Bi₂O₂Se via Tran–Blaha Modified Becke–Johnson Density Functional Theory

Guo

et al. 2013

J. Phys. Chem. C

120

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“…Figure A,B show the type I and type II crystal structure of Bi 2 O 2 Se, respectively. The 2 types of crystal structure have the same space group I4/mmm but slightly different lattice parameters.…”

Section: Resultsmentioning

confidence: 99%

Boosting the thermoelectric performance of Bi₂O₂Se by isovalent doping

Tan

Lan

et al. 2018

J Am Ceram Soc

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N‐type Bi2O2Se has a bright prospect for mid‐temperature thermoelectric applications on account of the intrinsically low thermal conductivity. However, the low carrier concentration of Bi2O2Se (~1015 cm−3) severely limits its thermoelectric performance. Herein, the boosting of the carrier concentration to ~1019 cm−3 can be realized in our La‐doped Bi2O2Se ceramic samples, which could be ascribed to the formation of isoelectronic traps and the narrowing of band gap, and contribute to a marked increase in the electrical conductivity (from 0.03 S cm−1 to 182 S cm−1). Our X‐ray absorption near‐edge structure spectra results reveal that a local disordering of oxygen atoms could be an important reason for the intrinsically low thermal conductivity of Bi2O2Se, and the point defects can also suppress the lattice thermal conductivity in La‐doped Bi2O2Se. The ZT value can be enhanced by a factor of ~4.5 to 0.35 at 823 K for Bi1.98La0.02O2Se as compared to the pristine Bi2O2Se. The coordinated optimization of electrical and thermal properties demonstrates an effective method for the rational design of high‐performance thermoelectric materials.

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“…Consequently, the figure of merit of the oxytelluride (ZT¼ 0.42 at 373 K) is significantly higher than that of the oxyselenide (ZT ¼0.15 at 373 K) [20,21]. In sharp contrast, the effect of substituting Se by Te in Bi 2 O 2 Se is not known, although the existence of a phase with stoichiometry Bi 2 O 2 Te, together with its thermal stability, have been reported by Schmidt et al [9,22,23]. To the best our knowledge, the thermoelectric properties of Bi 2 O 2 Te have never been investigated.…”

Section: Introductionmentioning

confidence: 97%

“…The existence of Bi 2 O 2 Se, which crystallises in the anti-ThCr 2 Si 2 structure type, was first reported by Boller [5]. The Bi-O-Se phase diagram was studied in detail by Oppermann et al [6][7][8][9][10][11], while the thermoelectric properties of Bi 2 O 2 Se were first reported by Ruleova et al [12]. Experimental [13,14], and theoretical studies [15,16], of this material, which is an n-type semiconductor with a reported ZT ¼0.007 at 300 K [12], have been carried out.…”

Section: Introductionmentioning

confidence: 99%

Synthesis, characterisation and thermoelectric properties of the oxytelluride Bi2O2Te

Luu

Vaqueiro

2015

Journal of Solid State Chemistry

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a b s t r a c tBi 2 O 2 Te was synthesised from a stoichiometric mixture of Bi, Bi 2 O 3 and Te by a solid state reaction. Analysis of powder X-ray diffraction data indicates that this material crystallises in the anti-ThCr 2 Si 2 structure type (space group I4/mmm), with lattice parameters a¼ 3.98025(4) and c¼ 12.70391(16) Å. The electrical and thermal transport properties of Bi 2 O 2 Te were investigated as a function of temperature over the temperature range 300 rT (K)r 665. These measurements indicate that Bi 2 O 2 Te is an n-type semiconductor, with a band gap of 0.23 eV. The thermal conductivity of Bi 2 O 2 Te is remarkably low for a crystalline material, with a value of only 0.91 W m À 1 K À 1 at room temperature.

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Untersuchung der Phasenbeziehungen in quaternären Systemen Bi2O3/Bi2Ch′3/Bi2Ch{′′}3 (Ch = S, Se, Te)

Cited by 14 publications

References 5 publications

Strain Effects To Optimize Thermoelectric Properties of Doped Bi₂O₂Se via Tran–Blaha Modified Becke–Johnson Density Functional Theory

Strain Effects To Optimize Thermoelectric Properties of Doped Bi₂O₂Se via Tran–Blaha Modified Becke–Johnson Density Functional Theory

Boosting the thermoelectric performance of Bi₂O₂Se by isovalent doping

Synthesis, characterisation and thermoelectric properties of the oxytelluride Bi2O2Te

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Untersuchung der Phasenbeziehungen in quaternären Systemen Bi2O3/Bi2Ch′3/Bi2Ch{′′}3 (Ch = S, Se, Te)

Cited by 14 publications

References 5 publications

Strain Effects To Optimize Thermoelectric Properties of Doped Bi2O2Se via Tran–Blaha Modified Becke–Johnson Density Functional Theory

Strain Effects To Optimize Thermoelectric Properties of Doped Bi2O2Se via Tran–Blaha Modified Becke–Johnson Density Functional Theory

Boosting the thermoelectric performance of Bi2O2Se by isovalent doping

Synthesis, characterisation and thermoelectric properties of the oxytelluride Bi2O2Te

Contact Info

Product

Resources

About

Strain Effects To Optimize Thermoelectric Properties of Doped Bi₂O₂Se via Tran–Blaha Modified Becke–Johnson Density Functional Theory

Strain Effects To Optimize Thermoelectric Properties of Doped Bi₂O₂Se via Tran–Blaha Modified Becke–Johnson Density Functional Theory

Boosting the thermoelectric performance of Bi₂O₂Se by isovalent doping