Thermoelectric performance of SnS and SnS–SnSe solid solution

Han, Yi; Jie, Zhao; Zhou, Min; Jiang, Xingxing; Leng, Haiyan; Li, Lai-Feng

doi:10.1039/c4ta06955b

Cited by 175 publications

(179 citation statements)

References 40 publications

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“…The highest ZT in Sn 0.99 Ag 0.02 Se is found to be over 0.9 at 793 K, which is higher than the reported values in polycrystalline SnSe materials. [21][22][23][24][25][26][27][28][29] However, this value is still smaller than that of the Ag-doped SnSe SC (1.2).…”

Section: Resultsmentioning

confidence: 55%

“…12,13 However, the doped polycrystalline samples still show ZT values that are less than 1.1, which is the highest reported value of undoped polycrystalline samples, although the carrier concentration has been optimized to 410 19 cm − 3 . [19][20][21][22][23][24][25][26][27][28][29][30] The deep understanding of electrical and thermal transport properties and exquisite control of the crystallite orientation in the samples are essential to achieve high thermoelectric performance in polycrystalline SnSe.…”

Section: Introductionmentioning

confidence: 99%

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Texturing degree boosts thermoelectric performance of silver-doped polycrystalline SnSe

Wang

Liu

et al. 2017

NPG Asia Mater

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Tin selenite (SnSe) has attracted significant attention due to its record thermoelectric figure of merit (ZT = 2.6 at 923 K) of its single crystal. However, the polycrystalline SnSe processes considerably less ZTs (⩽1.1). In this study, we investigate the thermoelectric properties of Ag-doped polycrystalline SnSe, which was synthesized via zone melting and hot pressing. By comparing our results and previous reports of Ag-doped single crystals and polycrystals, we determine that the high texturing degree is essential for achieving good thermoelectric performance in polycrystalline SnSe. The zone-melted Sn 0.99 Ag 0.02 Se shows better thermoelectric performance than the Ag-doped SnSe single crystal in the entire temperature range, exhibiting a peak ZT of 1.3 at 793 K.

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Section: Resultsmentioning

confidence: 55%

Section: Introductionmentioning

confidence: 99%

Texturing degree boosts thermoelectric performance of silver-doped polycrystalline SnSe

Wang

Liu

et al. 2017

NPG Asia Mater

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“…Such a high ZT value is mainly due to a combination of its 4 ultralow intrinsic lattice thermal conductivity and moderate power factor. Subsequent experimental investigations on p-type polycrystalline SnSe 20,25 , SnS 21,26 and SnS 1-x Se x 26 , inexplicably, reported much lower ZTs at various temperatures. The large discrepancy between the single-and poly-crystalline counterparts promotes further researches on the thermoelectric properties of SnSe and SnS.…”

Section: At 923 K For Single Crystalline P-type Snse Have Stimulated mentioning

confidence: 99%

First-principles study of anisotropic thermoelectric transport properties of IV-VI semiconductor compounds SnSe and SnS

Guo¹,

Wang²,

Kuang³

et al. 2015

Phys. Rev. B

438

406

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Tin selenide (SnSe) and tin sulfide (SnS) have recently attracted particular interest due to their great potential for large-scale thermoelectric applications. A complete prediction of the thermoelectric performance and the understanding of underlying heat and charge transport details are the key to further improvement of their thermoelectric efficiency. We conduct comprehensive investigations of both thermal and electrical transport properties of SnSe and SnS using first-principles calculations combined with the Boltzmann transport theory. Due to the distinct layered lattice structure, SnSe and SnS exhibit similarly anisotropic thermal and electrical behaviors. The cross-plane lattice thermal conductivity  L is 40-60% lower than the in-2 plane values. Extremely low  L is found for both materials because of high anharmonicity while the average  L of SnS is ~ 8% higher than that of SnSe from 300 to 750 K. It is suggested that nanostructuring would be difficult to further decrease  L because of the short mean free paths of dominant phonon modes (1-30 nm at 300 K) while alloying would be efficient in reducing  L considering that the relative  L contribution (~ 65%) of optical phonons is remarkably large. On the electrical side, the anisotropic electrical conductivities are mainly due to the different effective masses of holes and electrons along the a, b and c axes. This leads to the highest optimal ZT values along the b axis and lowest ones along the a axis in both p-type materials.However, the n-type ones exhibit the highest ZTs along the a axis due to the enhancement of power factor when the chemical potential gradually approaches the secondary conduction band valley that causes significant increase in electron mobility and density of states. Owing to the larger mobility and smaller  L along the given direction, SnSe exhibits larger optimal ZTs compared with SnS in both p-and n-type materials. For both materials, the peak ZTs of n-type materials are much higher than those of p-type ones along the same direction. The predicted highest ZT values at 750 K are 1.0 in SnSe and 0.6 in SnS along the b axis for the p-type doping while those for the n-type doping reach 2.7 in SnSe and 1.5 in SnS along the a axis, rendering them among the best bulk thermoelectric materials for large-scale applications. Our calculations show reasonable agreements with the experimental results and quantitatively predict the great potential in further enhancing the thermoelectric performance of SnSe and SnS, especially for the n-type materials.

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“…This phase transition has been the subject of a number of early crystallographic and thermomechanical experimental investigations [22][23][24][25][26][27][28][29][30][31]. More recently, the ultra-low lattice thermal conductivity of SnSe has attracted great interest for thermoelectric applications, and has been studied both experimentally and through ab-initio simulations [10,[18][19][20][32][33][34][35][36][37][38][39][40][41][42]. The coupling between lattice distortion and electronic structure was recently shown to be responsible for the large anharmonicity, which persists in a broad range of temperatures, and leads to the low thermal conductivity [10,17].…”

Section: Introductionmentioning

confidence: 99%

Phonon anharmonicity and negative thermal expansion in SnSe

et al. 2016

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The anharmonic phonon properties of SnSe in the Pnma phase were investigated with a combination of experiments and first-principles simulations. Using inelastic neutron scattering (INS) and nuclear resonant inelastic X-ray scattering (NRIXS), we have measured the phonon dispersions and density of states (DOS) and their temperature dependence, which revealed a strong, inhomogeneous shift and broadening of the spectrum on warming. First-principles simulations were performed to rationalize these measurements, and to explain the previously reported anisotropic thermal expansion, in particular the negative thermal expansion within the Sn-Se bilayers. Accurate treatment of the phonon free energy, in addition to the electronic ground state energy, is essential to reproduce the negative thermal expansion. From the phonon DOS obtained with INS and additional calorimetry measurements, we quantify the harmonic, dilational, and anharmonic components of the phonon entropy, heat capacity, and free energy. The origin of the anharmonic phonon thermodynamics is linked to the electronic structure.

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Thermoelectric performance of SnS and SnS–SnSe solid solution

Cited by 175 publications

References 40 publications

Texturing degree boosts thermoelectric performance of silver-doped polycrystalline SnSe

Texturing degree boosts thermoelectric performance of silver-doped polycrystalline SnSe

First-principles study of anisotropic thermoelectric transport properties of IV-VI semiconductor compounds SnSe and SnS

Phonon anharmonicity and negative thermal expansion in SnSe

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