WSe2 Nanoribbons: New High-Performance Thermoelectric Materials

2016 ◽  
Author(s):  
Kai-Xuan Chen ◽  
Dong-Chuan Mo ◽  
Shu-Shen Lyu
Keyword(s):  
Edge Effect ◽  
Thermoelectric Materials ◽  
First Principles ◽  
High Performance ◽  
Figure Of Merit ◽  
Ballistic Transport ◽  
Dangling Bonds ◽  
Thermoelectric Figure ◽  
Enhancement Mechanism ◽  
Theoretical Evidence

In this work, we first systematically investigate the ballistic transport properties of armchair WSe2 nanoribbons by using first-principles method. An enhancement in thermoelectric figure of merit (ZT) is discovered from monolayer to nanoribbons. To explore the origin of the enhancement mechanism, H-passication is introduced into the systems to make a comparison. The introduction of H-passivation stabilizes the dangling bonds at the ribbon edge and reduces the enhancement. It comfirms our suspect that the enhancement may be contributed from the disorder edge effect owing to the existence of dangling bonds. Our work provides instructional theoretical evidence for the application of armchair WSe2 nanoribbons as promising thermoelectric materials. The enhancement mechanism of disorder edge effect can also highlight the exploration of achieving outstanding thermoelectric materials.

Thermoelectric Properties of n-Type 90% Bi2Te3+10%Bi2Se3 Thermoelectric Materials Produced by Melt Spinning Method and Sintering

2007 ◽  
Vol 534-536 ◽  
pp. 161-164 ◽  
Author(s):  
Taek Soo Kim ◽  
Byong Sun Chun
Keyword(s):  
Solid Solutions ◽  
Thermoelectric Materials ◽  
Figure Of Merit ◽  
Melt Spinning ◽  
Bending Strength ◽  
Sintering Temperature ◽  
Thermoelectric Figure Of Merit ◽  
Vacuum Sintering ◽  
Thermoelectric Figure ◽  
Sintering Processes

N-type Bi2Te3-Sb2Te3 solid solutions doped with CdCl2 was prepared by melt spinning, crushing and vacuum sintering processes. Microstructure, bending strength and thermoelectric property were investigated as a function of the doping quantity from 0.03wt.% to 0.10wt.% and sintering temperature from 400oC to 500oC, and finally compared with those of conventionally fabricated alloys. The alloy showed a good structural homogeneity as well as bending strength of 3.88Kgf/mm2. The highest thermoelectric figure of merit was obtained by doping 0.03wt.% and sintering at 500oC.

High thermoelectric figure of merit in monolayer Tl2O from first principles

2020 ◽  
Vol 128 (18) ◽  
pp. 185111
Author(s):  
Qingjun Huang ◽  
Jinlong Ma ◽  
Dongwei Xu ◽  
Run Hu ◽  
Xiaobing Luo
Keyword(s):  
First Principles ◽  
Figure Of Merit ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure

Materials With Open Crystal Structure as Prospective Novel Thermoelectrics

1998 ◽  
Vol 545 ◽  
Author(s):  
Ctirad Uher ◽  
Jihui Yang ◽  
Siqing Hu
Keyword(s):  
Crystal Structure ◽  
Thermoelectric Materials ◽  
Figure Of Merit ◽  
Optimal Transport ◽  
Heusler Alloys ◽  
Thermoelectric Figure Of Merit ◽  
Great Flexibility ◽  
Thermoelectric Figure ◽  
Guest Species ◽  
Filled Skutterudites

AbstractA useful approach to identify materials with high thermoelectric figure of merit is to search for solids that offer great flexibility to modify and tailor the structure so as to achieve the optimal transport behavior. Among the most promising novel thermoelectric materials are solids with “open crystal structure”. They may be typified by structures with unfilled cages, crystals with an empty atomic sublattice, and by a network of polyhedral cages enclosing guest species. In this paper we present our latest results concerning transport properties in the above classes of solids. Specifically, we focus on the filled skutterudites, half-Heusler alloys, and clathrates.

Enhancing the average thermoelectric figure of merit of elemental Te by suppressing grain boundary scattering

2020 ◽  
Vol 8 (17) ◽  
pp. 8455-8461 ◽  
Author(s):  
Yehao Wu ◽  
Feng Liu ◽  
Qi Zhang ◽  
Tiejun Zhu ◽  
Kaiyang Xia ◽  
...  
Keyword(s):  
Electrical Conductivity ◽  
Grain Boundary ◽  
Thermoelectric Materials ◽  
Figure Of Merit ◽  
Thermoelectric Figure Of Merit ◽  
Boundary Scattering ◽  
Thermoelectric Figure ◽  
Grain Boundary Scattering

Suppressed grain boundary scattering contributes to enhanced electrical conductivity and device zT in elemental Te based thermoelectric materials.

High thermoelectric performance in low-cost SnS0.91Se0.09 crystals

Science ◽  
2019 ◽  
Vol 365 (6460) ◽  
pp. 1418-1424 ◽  
Author(s):  
Wenke He ◽  
Dongyang Wang ◽  
Haijun Wu ◽  
Yu Xiao ◽  
Yang Zhang ◽  
...  
Keyword(s):  
Thermoelectric Materials ◽  
High Performance ◽  
Carrier Mobility ◽  
Figure Of Merit ◽  
Toxic Elements ◽  
Low Cost ◽  
Thermoelectric Performance ◽  
Tin Sulfide ◽  
Temperature Dependent ◽  
Earth Abundant

Thermoelectric technology allows conversion between heat and electricity. Many good thermoelectric materials contain rare or toxic elements, so developing low-cost and high-performance thermoelectric materials is warranted. Here, we report the temperature-dependent interplay of three separate electronic bands in hole-doped tin sulfide (SnS) crystals. This behavior leads to synergistic optimization between effective mass (m*) and carrier mobility (μ) and can be boosted through introducing selenium (Se). This enhanced the power factor from ~30 to ~53 microwatts per centimeter per square kelvin (μW cm−1 K−2 at 300 K), while lowering the thermal conductivity after Se alloying. As a result, we obtained a maximum figure of merit ZT (ZTmax) of ~1.6 at 873 K and an average ZT (ZTave) of ~1.25 at 300 to 873 K in SnS0.91Se0.09 crystals. Our strategy for band manipulation offers a different route for optimizing thermoelectric performance. The high-performance SnS crystals represent an important step toward low-cost, Earth-abundant, and environmentally friendly thermoelectrics.

High-performance p-type elemental Te thermoelectric materials enabled by the synergy of carrier tuning and phonon engineering

2020 ◽  
Vol 8 (24) ◽  
pp. 12156-12168
Author(s):  
Decheng An ◽  
Shaoping Chen ◽  
Xin Zhai ◽  
Yuan Yu ◽  
Wenhao Fan ◽  
...  
Keyword(s):  
Thermoelectric Materials ◽  
High Performance ◽  
Figure Of Merit ◽  
Phonon Transport ◽  
P Type

An outstanding figure-of-merit zT ≈ 1.06 at 600 K for p-type elemental Te thermoelectrics is realized by synergistically tuning their carrier and phonon transport behaviors via a multicomponent alloying strategy.

scholarly journals Band engineering and rational design of high-performance thermoelectric materials by first-principles

2016 ◽  
Vol 2 (2) ◽  
pp. 114-130 ◽  
Author(s):  
Lili Xi ◽  
Jiong Yang ◽  
Lihua Wu ◽  
Jihui Yang ◽  
Wenqing Zhang
Keyword(s):  
Thermoelectric Materials ◽  
First Principles ◽  
High Performance ◽  
Rational Design ◽  
Band Engineering

Band engineering of high performance p-type FeNbSb based half-Heusler thermoelectric materials for figure of merit zT > 1

2015 ◽  
Vol 8 (1) ◽  
pp. 216-220 ◽  
Author(s):  
Chenguang Fu ◽  
Tiejun Zhu ◽  
Yintu Liu ◽  
Hanhui Xie ◽  
Xinbing Zhao
Keyword(s):  
Thermoelectric Materials ◽  
High Performance ◽  
Figure Of Merit ◽  
Heusler Compounds ◽  
Band Engineering ◽  
Engineering Approach ◽  
P Type

High performance p-type half-Heusler compounds FeNb1−xTixSb are developed via a band engineering approach and a record zT of 1.1 is achieved.

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