Journal ArticleDOI
Broad temperature plateau for high ZTs in heavily doped p-type SnSe single crystals
Kunling Peng,Kunling Peng,Xu Lu,Heng Zhan,Si Hui,Xiaodan Tang,Xiaodan Tang,Guiwen Wang,Guiwen Wang,Jiyan Dai,Ctirad Uher,Guoyu Wang,Xiaoyuan Zhou +12 more
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TLDR
The average value of the figure of merit ZT, of more than 1.17, is measured from 300 K to 800 K along the crystallographic b-axis of 3 at% Na-doped SnSe, with the maximum ZT reaching a value of 2 at 800 K as mentioned in this paper.Abstract:
Excellent thermoelectric performance is obtained over a broad temperature range from 300 K to 800 K by doping single crystals of SnSe. The average value of the figure of merit ZT, of more than 1.17, is measured from 300 K to 800 K along the crystallographic b-axis of 3 at% Na-doped SnSe, with the maximum ZT reaching a value of 2 at 800 K. The room temperature value of the power factor for the same sample and in the same direction is 2.8 mW mK−2, which is an order of magnitude higher than that of the undoped crystal. Calculations show that Na doping lowers the Fermi level and increases the number of carrier pockets in SnSe, leading to a collaborative optimization of the Seebeck coefficient and the electrical conductivity. The resultant optimized carrier concentration and the increased number of carrier pockets near the Fermi level in Na-doped samples are believed to be the key factors behind the spectacular enhancement of the average ZT.read more
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Rationally Designing High-Performance Bulk Thermoelectric Materials
TL;DR: This review describes the recent advances in designing high-performance bulk thermoelectric materials and highlights the decoupling of the electron and phonon transport through coherent interface, matrix/precipitate electronic bands alignment, and compositionally alloyed nanostructures.
Journal ArticleDOI
Advances in thermoelectric materials research: Looking back and moving forward
Jian He,Terry M. Tritt +1 more
TL;DR: The mechanisms and strategies for improving thermoelectric efficiency are reviewed and how to report material performance is discussed, as well as how to develop high-performance materials out of nontoxic and earth-abundant elements.
Journal ArticleDOI
Advanced Thermoelectric Design: From Materials and Structures to Devices
TL;DR: This review aims to comprehensively summarize the state-of-the-art strategies for the realization of high-performance thermoelectric materials and devices by establishing the links between synthesis, structural characteristics, properties, underlying chemistry and physics.
Journal ArticleDOI
3D charge and 2D phonon transports leading to high out-of-plane ZT in n-type SnSe crystals
Cheng Chang,Minghui Wu,Dongsheng He,Yanling Pei,Chao-Feng Wu,Xuefeng Wu,Hulei Yu,Fangyuan Zhu,Kedong Wang,Yue Chen,Li Huang,Jing-Feng Li,Jiaqing He,Li-Dong Zhao +13 more
TL;DR: This work doped SnSe with bromine to make n-type SnSe crystals with the overlapping interlayer charge density (3D charge transport), a promising n- type thermoelectric material with electrons as the charge carriers and provides a new strategy to enhance out-of-plane electrical transport properties without degrading thermal properties.
Journal ArticleDOI
High Performance Thermoelectric Materials: Progress and Their Applications
TL;DR: In this article, the authors focus on major novel strategies to achieve high-performance thermoelectric (TE) materials and their applications, and present a review of these strategies.
References
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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.
Journal ArticleDOI
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
Journal ArticleDOI
Projector augmented-wave method
TL;DR: An approach for electronic structure calculations is described that generalizes both the pseudopotential method and the linear augmented-plane-wave (LAPW) method in a natural way and can be used to treat first-row and transition-metal elements with affordable effort and provides access to the full wave function.
Journal ArticleDOI
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
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
TL;DR: 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.