Outstanding thermoelectric performances for both p- and n-type SnSe from first-principles study

Yang, Jueming; Zhang, Guangbiao; Yang, Gui; Wang, Chao; Wang, Yuanxu

doi:10.1016/j.jallcom.2015.04.175

Cited by 82 publications

(61 citation statements)

References 27 publications

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“…[11,15] A theoretical ZT of 3.1 was reported for single-crystal n-type SnSe. [85] Despite the effects of the original structure, element doping plays a significant role in the thermoelectric performance of SnTe because it possesses a similar band structure to PbTe, e.g., light and heavy hole bands located close to each other and just below the Fermi level. [83] Thus, it is easy to adjust the band gap via element doping (such as resonant doping with In) and by modifying the band structure with Cd doping.…”

Section: Sn-x and In-x Systems (Groups 4 And 5)mentioning

confidence: 99%

Thermoelectric Enhancement of Different Kinds of Metal Chalcogenides

Han

Sun

et al. 2016

Advanced Energy Materials

173

114

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Due to the urgency of our energy and environmental issues, a variety of cost-effective and pollution-free technologies have attracted considerable attention, among which thermoelectric technology has made enormous progress. Substantial numbers of new thermoelectric materials are created with high figure of merit (ZT) by using advanced nanoscience and nanotechnology. This is especially true in the case of metalchalcogenide-based materials, which possess both relatively high ZT and low cost among all the different kinds of thermoelectric materials. Here, comprehensive coverage of recent advances in metal chalcogenides and their correlated thermoelectric enhancement mechanisms are provided. Several new strategies are summarized with the hope that they can inspire further enhancement of performance, both in metal chalcogenides and in other materials. Disciplines Engineering | Physical Sciences and Mathematics Publication DetailsHan, C., Sun, Q., Li, Z. & Dou, S. X. (2016) Several new strategies are summarized with the hope that they can inspire further enhancement of performance, both in metal chalcogenides and in other materials.2

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Section: Sn-x and In-x Systems (Groups 4 And 5)mentioning

confidence: 99%

Thermoelectric Enhancement of Different Kinds of Metal Chalcogenides

Han

Sun

et al. 2016

Advanced Energy Materials

173

114

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“…1,2 Over the past few decades, because SnSe exhibits good thermoelectric power, bulk SnSe has been of interest in many experimental and theoretical investigations. [3][4][5][6][7][8][9][10][11][12] Banik et al synthesized highquality crystalline ingots of In-doped SnTe 1Àx Se x by a simple vacuum-sealed tube melting reaction. 3 The band structure, densities of states, and optical properties of SnSe were analyzed under high hydrostatic pressures by Makinistian et al 4 Loa et al investigated the crystal structure of the thermoelectric material SnSe using angle-dispersive synchrotron x-ray powder diffraction at hydrostatic pressure up to 27 GPa.…”

Section: Introductionmentioning

confidence: 99%

“…8 Yang et al proposed a possible method to further enhance the thermoelectric performance of SnSe by comparing the thermoelectric performance of p-and n-type SnSe by first principles and semiclassical Boltzmann theory. 9 Ding et al used first principles combined with Boltzmann transport theory to investigate the thermoelectric properties of four orthorhombic IV-V compounds. 10 Suzuki et al explored the possibility of increasing ZT in the low-temperature regime by carrier doping.…”

Section: Introductionmentioning

confidence: 99%

Comparative Study of Electronic Structure and Thermoelectric Properties of SnSe for Pnma and Cmcm Phase

Zhang

et al. 2016

Journal of Elec Materi

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The electronic structure and thermoelectric properties of SnSe have been studied according to first principles and semiclassical Boltzmann theory. The decrease of the density of states (DOS) for SnSe from Pnma to Cmcm phase is mainly due to the decrease of Sn p-states and Se p-states. The main Seebeck coefficient peaks are higher for Pnma than Cmcm phase. The peak values of S 2 r/s increase faster with carrier concentration and temperature for n-compared with p-doping, indicating that n-doping can greatly enhance the electrical transport properties for Pnma phase, whereas the peak values for ndoping are almost the same as with p-doping for the Cmcm phase. It is also found that n-doping in the SnSe compound may be more favorable for thermoelectric performance for Pnma phase.

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“…More recently, two first-principle calculations predicted that both n- and p-type SnSe have high ZT values above 2. Interestingly, n-type SnSe is expected to show better thermoelectric performances than p-type SnSe1011. In Na-doped p-type SnSe, Zhao et al 12.…”

mentioning

confidence: 99%

Achieving ZT=2.2 with Bi-doped n-type SnSe single crystals

et al. 2016

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Recently SnSe, a layered chalcogenide material, has attracted a great deal of attention for its excellent p-type thermoelectric property showing a remarkable ZT value of 2.6 at 923 K. For thermoelectric device applications, it is necessary to have n-type materials with comparable ZT value. Here, we report that n-type SnSe single crystals were successfully synthesized by substituting Bi at Sn sites. In addition, it was found that the carrier concentration increases with Bi content, which has a great influence on the thermoelectric properties of n-type SnSe single crystals. Indeed, we achieved the maximum ZT value of 2.2 along b axis at 733 K in the most highly doped n-type SnSe with a carrier density of −2.1 × 1019 cm−3 at 773 K.

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Outstanding thermoelectric performances for both p- and n-type SnSe from first-principles study

Cited by 82 publications

References 27 publications

Thermoelectric Enhancement of Different Kinds of Metal Chalcogenides

Thermoelectric Enhancement of Different Kinds of Metal Chalcogenides

Comparative Study of Electronic Structure and Thermoelectric Properties of SnSe for Pnma and Cmcm Phase

Achieving ZT=2.2 with Bi-doped n-type SnSe single crystals

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