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...

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.

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 Hybrid-structured ZnO thermoelectric materials with high carrier mobility and reduced thermal conductivity

RSC Advances ◽  
2017 ◽  
Vol 7 (18) ◽  
pp. 10855-10864 ◽  
Author(s):  
Dai-Bing Zhang ◽  
He-Zhang Li ◽  
Bo-Ping Zhang ◽  
Dou-dou Liang ◽  
Min Xia
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Materials ◽  
Carrier Mobility ◽  
Figure Of Merit ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure ◽  
High Carrier Mobility ◽  
High Carrier

We obtained a high thermoelectric figure of merit (ZT) in this simple ZnO by adopting a hybrid micro/nano structuring approach.

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.

Thermoelectric Performance of ZrNX (X = Cl, Br, I) Monolayers

2021 ◽  
Author(s):  
Wenwu Shi ◽  
Nina Ge ◽  
Xinzhong Wang ◽  
Zhiguo Wang
Keyword(s):  
Thermal Conductivity ◽  
Power Factor ◽  
High Power ◽  
Thermoelectric Materials ◽  
Lattice Thermal Conductivity ◽  
Thermoelectric Performance ◽  
Low Thermal Conductivity ◽  
High Power Factor

Low thermal conductivity and high power factor are essential for the efficient thermoelectric materials. The lattice thermal conductivity can be reduced by reducing the dimension of materials, thus improving the...

Intrinsically Low Thermal Conductivity and High Carrier Mobility in Dual Topological Quantum Material, n‐Type BiTe

2020 ◽  
Vol 132 (12) ◽  
pp. 4852-4859 ◽  
Author(s):  
Manisha Samanta ◽  
Koushik Pal ◽  
Umesh V. Waghmare ◽  
Kanishka Biswas
Keyword(s):  
Thermal Conductivity ◽  
Carrier Mobility ◽  
Low Thermal Conductivity ◽  
Topological Quantum ◽  
High Carrier Mobility ◽  
High Carrier
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