Journal ArticleDOI
Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals
Li-Dong Zhao,Shih Han Lo,Yongsheng Zhang,Hui Sun,Gangjian Tan,Ctirad Uher,Chris Wolverton,Vinayak P. Dravid,Mercouri G. Kanatzidis +8 more
TLDR
An unprecedented ZT of 2.6 ± 0.3 at 923 K is reported in SnSe single crystals measured along the b axis of the room-temperature orthorhombic unit cell, which highlights alternative strategies to nanostructuring for achieving high thermoelectric performance.Abstract:
The thermoelectric effect enables direct and reversible conversion between thermal and electrical energy, and provides a viable route for power generation from waste heat The efficiency of thermoelectric materials is dictated by the dimensionless figure of merit, ZT (where Z is the figure of merit and T is absolute temperature), which governs the Carnot efficiency for heat conversion Enhancements above the generally high threshold value of 25 have important implications for commercial deployment, especially for compounds free of Pb and Te Here we report an unprecedented ZT of 26 ± 03 at 923 K, realized in SnSe single crystals measured along the b axis of the room-temperature orthorhombic unit cell This material also shows a high ZT of 23 ± 03 along the c axis but a significantly reduced ZT of 08 ± 02 along the a axis We attribute the remarkably high ZT along the b axis to the intrinsically ultralow lattice thermal conductivity in SnSe The layered structure of SnSe derives from a distorted rock-salt structure, and features anomalously high Gruneisen parameters, which reflect the anharmonic and anisotropic bonding We attribute the exceptionally low lattice thermal conductivity (023 ± 003 W m(-1) K(-1) at 973 K) in SnSe to the anharmonicity These findings highlight alternative strategies to nanostructuring for achieving high thermoelectric performanceread more
Citations
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Journal ArticleDOI
Concerted Rattling in CsAg5Te3 Leading to Ultralow Thermal Conductivity and High Thermoelectric Performance
Hua Lin,Gangjian Tan,Jin Ni Shen,Shiqiang Hao,Li-Ming Wu,Nicholas P. Calta,Christos D. Malliakas,Si Wang,Si Wang,Ctirad Uher,Chris Wolverton,Mercouri G. Kanatzidis +11 more
TL;DR: A new p-type thermoelectric material, CsAg5 Te3, is presented that exhibits ultralow lattice thermal conductivity and is attributed to a previously unrecognized phonon scattering mechanism that involves the concerted rattling of a group of Ag ions that strongly raises the Grüneisen parameters of the material.
Journal ArticleDOI
High Thermoelectric Performance in p-type Polycrystalline Cd-doped SnSe Achieved by a Combination of Cation Vacancies and Localized Lattice Engineering
Xiaolei Shi,Angyin Wu,Tianli Feng,Tianli Feng,Kun Zheng,Wei-Di Liu,Qiang Sun,Min Hong,Sokrates T. Pantelides,Sokrates T. Pantelides,Zhigang Chen,Zhigang Chen,Jin Zou +12 more
TL;DR: In this paper, a high figure of merit (ZT) of ≈ 1.7 at 823 K is reported in p-type polycrystalline Cd-doped SnSe by combining cation vacancies and localized lattice engineering.
Journal ArticleDOI
Simultaneous Optimization of Carrier Concentration and Alloy Scattering for Ultrahigh Performance GeTe Thermoelectrics.
TL;DR: GeTe is demonstrated as a promising thermoelectric material but also paves the way for enhancing the thermoeLECTric performance in similar materials by increasing the mean size of cations and decreasing the average size of anions through isovalent substitutions for increased formation energy of cation vacancy.
Journal ArticleDOI
Tetrahedrites as thermoelectric materials: an overview
TL;DR: A review of tetrahedrite materials for thermoelectric applications can be found in this paper, where the effect of different doping elements on the thermodynamic properties of the materials is discussed.
Journal ArticleDOI
Record high thermoelectric performance in bulk SrTiO3 via nano-scale modulation doping
Jun Wang,Boyu Zhang,Huijun Kang,Yan Li,Xinba Yaer,Jing-Feng Li,Qing Tan,Shuai Zhang,Guo Hua Fan,Cheng Yan Liu,Lei Miao,Ding Nan,Tongmin Wang,Li-Dong Zhao +13 more
TL;DR: In this paper, a high performance Strontium titanite (SrTiO3) with La-Nb co-doping was reported by a combination of hydrothermal method and high efficiency sintering.
References
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Journal ArticleDOI
Generalized Gradient Approximation Made Simple
TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
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From ultrasoft pseudopotentials to the projector augmented-wave method
Georg Kresse,Daniel P. Joubert +1 more
TL;DR: In this paper, the formal relationship between US Vanderbilt-type pseudopotentials and Blochl's projector augmented wave (PAW) method is derived and the Hamilton operator, the forces, and the stress tensor are derived for this modified PAW functional.
Journal ArticleDOI
Special points for brillouin-zone integrations
Hendrik J. Monkhorst,J.D. Pack +1 more
TL;DR: In this article, a method for generating sets of special points in the Brillouin zone which provides an efficient means of integrating periodic functions of the wave vector is given, where the integration can be over the entire zone or over specified portions thereof.
Journal ArticleDOI
Complex thermoelectric materials.
TL;DR: A new era of complex thermoelectric materials is approaching because of modern synthesis and characterization techniques, particularly for nanoscale materials, and the strategies used to improve the thermopower and reduce the thermal conductivity are reviewed.
Journal ArticleDOI
High-performance bulk thermoelectrics with all-scale hierarchical architectures
Kanishka Biswas,Jiaqing He,Ivan Blum,Ivan Blum,Chun I. Wu,Timothy P. Hogan,Timothy P. Hogan,David N. Seidman,Vinayak P. Dravid,Mercouri G. Kanatzidis,Mercouri G. Kanatzidis +10 more
TL;DR: It is shown that heat-carrying phonons with long mean free paths can be scattered by controlling and fine-tuning the mesoscale architecture of nanostructured thermoelectric materials, and an increase in ZT beyond the threshold of 2 highlights the role of, and need for, multiscale hierarchical architecture in controlling phonon scattering in bulk thermoeLECTrics.