High thermoelectric performance from high carrier mobility and reduced lattice thermal conductivity in Ba, Yb double-filled Skutterudites

2019 ◽  
Vol 8 ◽  
pp. 128-137 ◽  
Author(s):  
D. Qin ◽  
B. Cui ◽  
X. Meng ◽  
P. Qin ◽  
L. Xie ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Carrier Mobility ◽  
Lattice Thermal Conductivity ◽  
Thermoelectric Performance ◽  
Filled Skutterudites ◽  
High Carrier Mobility ◽  
High Carrier

scholarly journals Achieving High Thermoelectric Performance in Rare-Earth Element-Free CaMg2Bi2 with High Carrier Mobility and Ultralow Lattice Thermal Conductivity

Research ◽  
2020 ◽  
Vol 2020 ◽  
pp. 1-10 ◽  
Author(s):  
Muchun Guo ◽  
Fengkai Guo ◽  
Jianbo Zhu ◽  
Li Yin ◽  
Qian Zhang ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Materials ◽  
Carrier Mobility ◽  
Lattice Thermal Conductivity ◽  
Low Cost ◽  
Thermoelectric Performance ◽  
Widespread Application ◽  
Compatibility Factor ◽  
High Carrier Mobility ◽  
High Carrier

CaMg2Bi2-based compounds, a kind of the representative compounds of Zintl phases, have uniquely inherent layered structure and hence are considered to be potential thermoelectric materials. Generally, alloying is a traditional and effective way to reduce the lattice thermal conductivity through the mass and strain field fluctuation between host and guest atoms. The cation sites have very few contributions to the band structure around the fermi level; thus, cation substitution may have negligible influence on the electric transport properties. What is more, widespread application of thermoelectric materials not only desires high ZT value but also calls for low-cost and environmentally benign constituent elements. Here, Ba substitution on cation site achieves a sharp reduction in lattice thermal conductivity through enhanced point defects scattering without the obvious sacrifice of high carrier mobility, and thus improves thermoelectric properties. Then, by combining further enhanced phonon scattering caused by isoelectronic substitution of Zn on the Mg site, an extraordinarily low lattice thermal conductivity of 0.51 W m-1 K-1 at 873 K is achieved in (Ca0.75Ba0.25)0.995Na0.005Mg1.95Zn0.05Bi1.98 alloy, approaching the amorphous limit. Such maintenance of high mobility and realization of ultralow lattice thermal conductivity synergistically result in broadly improvement of the quality factor β. Finally, a maximum ZT of 1.25 at 873 K and the corresponding ZTave up to 0.85 from 300 K to 873 K have been obtained for the same composition, meanwhile possessing temperature independent compatibility factor. To our knowledge, the current ZTave exceeds all the reported values in AMg2Bi2-based compounds so far. Furthermore, the low-cost and environment-friendly characteristic plus excellent thermoelectric performance also make the present Zintl phase CaMg2Bi2 more competitive in practical application.

Efficient lanthanide Gd Doping Promoting Thermoelectric Performance of Mg3Sb2-based Materials

2021 ◽  
Author(s):  
Jingdan Lei ◽  
Hexige Wuliji ◽  
Kunpeng Zhao ◽  
Tian-Ran Wei ◽  
Qing Xu ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Materials ◽  
Carrier Mobility ◽  
Lattice Thermal Conductivity ◽  
Thermoelectric Performance ◽  
High Carrier Mobility ◽  
High Carrier ◽  
High Band

Mg3Sb2-based thermoelectric materials have recently received heightened attentions due to its diverse merits of high band degeneracy, ultralow lattice thermal conductivity and high carrier mobility. However, the inherently low carrier...

Ultra low lattice thermal conductivity and high carrier mobility of monolayer SnS2and SnSe2: a first principles study

2017 ◽  
Vol 19 (31) ◽  
pp. 20677-20683 ◽  
Author(s):  
Aamir Shafique ◽  
Abdus Samad ◽  
Young-Han Shin
Keyword(s):  
Thermal Conductivity ◽  
Density Functional Theory ◽  
First Principles ◽  
Carrier Mobility ◽  
Density Functional ◽  
Lattice Thermal Conductivity ◽  
Functional Theory ◽  
First Principles Study ◽  
High Carrier Mobility ◽  
High Carrier

Using density functional theory, we systematically investigate the lattice thermal conductivity and carrier mobility of monolayer SnX2(X = S, Se).

scholarly journals High carrier mobility and ultralow thermal conductivity in the synthetic layered superlattice Sn4Bi10Se19

2021 ◽  
Author(s):  
Ruiming Lu ◽  
Alan Olvera ◽  
Trevor Bailey ◽  
Jiefei Fu ◽  
Xianli Su ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Crystal Lattice ◽  
Carrier Mobility ◽  
Complex Materials ◽  
High Carrier Mobility ◽  
High Carrier

The integration within the same crystal lattice of two or more structurally and chemically distinct building units enables the design of complex materials featuring the coexistence of dissimilar functionalities. Here...

scholarly journals Thermoelectric Properties of NiCl3 Monolayer: A First-Principles-Based Transport Study

Nanomaterials ◽  
2020 ◽  
Vol 10 (3) ◽  
pp. 411
Author(s):  
Jing Liu ◽  
Xiaorui Chen ◽  
Yuhong Huang ◽  
Hongkuan Yuan ◽  
Hong Chen
Keyword(s):  
First Principles ◽  
Carrier Mobility ◽  
Figure Of Merit ◽  
Lattice Thermal Conductivity ◽  
Transport Theory ◽  
Dimensionless Figure Of Merit ◽  
Structural And Electronic Properties ◽  
High Carrier Mobility ◽  
High Carrier ◽  
Potential Matrix

By employing the first-principles-based transport theory, we investigate the thermoelectric performance based on the structural and electronic properties of NiCl 3 monolayer. The NiCl 3 monolayer is confirmed to be a stable Dirac spin gapless semiconductor with the linear energy dispersion having almost massless carrier, high carrier mobility and fully spin-polarization. Further, NiCl 3 monolayer processes the optimum power factor of 4.97 mWm − 1 K − 2 , the lattice thermal conductivity of 1.89 Wm − 1 K − 1 , and the dimensionless figure of merit of 0.44 at room temperature under reasonable carrier concentration, indicating that NiCl 3 monolayer may be a potential matrix for promising thermoelectrics.

Enhanced Thermoelectric Performance via Oxygen Manipulation in BiCuTeO

MRS Advances ◽  
2019 ◽  
Vol 4 (08) ◽  
pp. 499-505 ◽  
Author(s):  
Hui-Ching Chang ◽  
Hao-Jen You ◽  
Raman Sankar ◽  
Ying-Jay Yang ◽  
Li-Chyong Chen ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Grain Size ◽  
Solid State ◽  
Oxygen Content ◽  
Lattice Thermal Conductivity ◽  
Oxygen Deficiency ◽  
Thermoelectric Performance ◽  
High Carrier Concentration ◽  
Press Method ◽  
High Carrier

AbstractBiCuTeO is a potential thermoelectric material owing to its low thermal conductivity and high carrier concentration. However, the thermoelectric performance of BiCuTeO is still below average and has much scope for improvement. In this study, we manipulated the nominal oxygen content in BiCuTeO and synthesized BiCuTeOx (x = 0.94–1.06) bulks by a solid-state reaction and pelletized them by a cold-press method. The power factor was enhanced by varying the nominal oxygen deficiency due to the increased Seebeck coefficient. The thermal conductivity was also reduced due to the decrease in lattice thermal conductivity owing to the small grain size generated by the optimal nominal oxygen content. Consequently, the ZT value was enhanced by ∼11% at 523 K for stoichiometric BiCuTeO0.94 compared to BiCuTeO. Thus, optimal oxygen manipulation in BiCuTeO can enhance the thermoelectric performance. This study can be applied to developing oxides with high thermoelectric performances.

scholarly journals Co-regulation of the copper vacancy concentration and point defects leading to the enhanced thermoelectric performance of Cu3In5Te9-based chalcogenides

RSC Advances ◽  
2019 ◽  
Vol 9 (54) ◽  
pp. 31747-31752 ◽  
Author(s):  
Min Li ◽  
Yong Luo ◽  
Xiaojuan Hu ◽  
Zhongkang Han ◽  
Xianglian Liu ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Point Defect ◽  
Carrier Concentration ◽  
Point Defects ◽  
Lattice Thermal Conductivity ◽  
Vacancy Concentration ◽  
Thermoelectric Performance ◽  
High Carrier Concentration ◽  
High Carrier

Co-regulation of both the copper vacancy concentration (Vc) and point defect GaIn realizing the high carrier concentration and low lattice thermal conductivity in Cu3In5Te9-based chalcogenides simultaneously.

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