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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Examining the thermal conductivity of half-Heusler alloy TiNiSn by first-principles calculations
TL;DR: In this paper, the authors used the ShengBTE code developed recently to examine the lattice thermal conductivity of half-Heusler alloy (NiNiSn) and found that it is 7.6 W/mK at room temperature.
Journal ArticleDOI
Thermoelectric transport properties of rock-salt SnSe: first-principles investigation
TL;DR: In this paper, the authors investigated the thermoelectric transport properties of orthorhombic SnSe with a rock-salt structure, which is a common structure for these state-of-the-art PbQ (Q = Te, Se, S) and SnTe.
Journal ArticleDOI
Recent advances in investigations of the electronic and optoelectronic properties of group III, IV, and V selenide based binary layered compounds
Milinda Wasala,Hansika Sirikumara,Yub Raj Sapkota,Stephen Hofer,Dipanjan Mazumdar,Thushari Jayasekera,Saikat Talapatra +6 more
TL;DR: In this paper, the authors present a comprehensive update on the recent research trends, advancement and future outlook of selected layered selenide based binary compounds featuring elements from group III, IV, and V of the periodic table.
Journal ArticleDOI
Dynamic Ag+-intercalation with AgSnSe2 nano-precipitates in Cl-doped polycrystalline SnSe2 toward ultra-high thermoelectric performance
Chengyan Liu,Zhiwei Huang,Dianhui Wang,Xiuxia Wang,Lei Miao,Xiaoyang Wang,Shaohai Wu,Nozomu Toyama,Toru Asaka,Junliang Chen,Eiji Nishibori,Li-Dong Zhao +11 more
TL;DR: In this article, a new strategy was proposed to simultaneously enhance the electronic transport properties and reduce the thermal conductivity of polycrystalline lead-free selenides by combining weak van der Waals bonding with the mobile behavior of Ag+ ions.
Journal ArticleDOI
Engineering trace AuNPs on monodispersed carbonized organosilica microspheres drives highly efficient and low-cost solar water purification
TL;DR: In this paper, a simple interfacial reaction for in situ engineering a trace amount of AuNPs on carbonized organosilica (c-silica) microspheres toward water desalination and decontamination is reported.
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.
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
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.