High thermoelectric performance of Bi-Te alloy: Defect engineering strategy

2016 ◽  
Vol 16 (9) ◽  
pp. 1202-1215 ◽  
Author(s):  
Jong Gil Park ◽  
Young Hee Lee
Keyword(s):  
Thermoelectric Performance ◽  
Defect Engineering ◽  
Engineering Strategy

Hierarchical molecular design of high-performance infrared nonlinear Ag2HgI4 material by defect engineering strategy

2021 ◽  
pp. 100432
Author(s):  
Can Yang ◽  
Xian Liu ◽  
Chunlin Teng ◽  
Xiaohong Cheng ◽  
Fei Liang ◽  
...  
Keyword(s):  
High Performance ◽  
Molecular Design ◽  
Defect Engineering ◽  
Engineering Strategy

PbX2 purification: Defect-Engineering Strategy to Achieve Efficient and Stable Blue-, Red-Emitting Perovskite Nanocrystals

2021 ◽  
Author(s):  
Andres F. Gualdrón-Reyes ◽  
Jan Macak ◽  
Alexis Villanueva ◽  
Samrat Das Adhikari ◽  
Jhonatan Rodriguez-Pereira ◽  
...  
Keyword(s):  
Defect Engineering ◽  
Perovskite Nanocrystals ◽  
Engineering Strategy

scholarly journals Boosting the Thermoelectric Performance of Calcium Cobaltite Composites through Structural Defect Engineering

2020 ◽  
Vol 12 (19) ◽  
pp. 21623-21632 ◽  
Author(s):  
Zongmo Shi ◽  
Can Zhang ◽  
Taichao Su ◽  
Jie Xu ◽  
Jihong Zhu ◽  
...  
Keyword(s):  
Structural Defect ◽  
Thermoelectric Performance ◽  
Defect Engineering

scholarly journals Defect Engineering in Solution-Processed Polycrystalline SnSe Leads to High Thermoelectric Performance

ACS Nano ◽  
2021 ◽  
Author(s):  
Yu Liu ◽  
Mariano Calcabrini ◽  
Yuan Yu ◽  
Seungho Lee ◽  
Cheng Chang ◽  
...  
Keyword(s):  
Thermoelectric Performance ◽  
Defect Engineering ◽  
Solution Processed

Defect Engineering for Realizing p-Type AgBiSe2 with a Promising Thermoelectric Performance

2020 ◽  
Vol 32 (8) ◽  
pp. 3528-3536 ◽  
Author(s):  
Shan Li ◽  
Zhenzhen Feng ◽  
Zhongjia Tang ◽  
Fanghao Zhang ◽  
Feng Cao ◽  
...  
Keyword(s):  
Thermoelectric Performance ◽  
Defect Engineering ◽  
P Type

Defect Engineering for Realizing High Thermoelectric Performance in n-Type Mg3Sb2-Based Materials

2017 ◽  
Vol 2 (10) ◽  
pp. 2245-2250 ◽  
Author(s):  
Jun Mao ◽  
Yixuan Wu ◽  
Shaowei Song ◽  
Qing Zhu ◽  
Jing Shuai ◽  
...  
Keyword(s):  
Thermoelectric Performance ◽  
Defect Engineering

scholarly journals Defect Chemistry, Sodium Diffusion and Doping Behaviour in NaFeO2 Polymorphs as Cathode Materials for Na-Ion Batteries: A Computational Study

Materials ◽  
2019 ◽  
Vol 12 (19) ◽  
pp. 3243 ◽  
Author(s):  
Navaratnarajah Kuganathan ◽  
Nikolaos Kelaidis ◽  
Alexander Chroneos
Keyword(s):  
Density Functional ◽  
Computational Study ◽  
Defect Engineering ◽  
High Concentration ◽  
Functional Theory ◽  
Good Reproduction ◽  
Doping Behaviour ◽  
Engineering Strategy ◽  
Diffusion Paths ◽  
Sodium Diffusion

Minor metal-free sodium iron dioxide, NaFeO2, is a promising cathode material in sodium-ion batteries. Computational simulations based on the classical potentials were used to study the defects, sodium diffusion paths and cation doping behaviour in the α- and β-NaFeO2 polymorphs. The present simulations show good reproduction of both α- and β-NaFeO2. The most thermodynamically favourable defect is Na Frenkel, whereas the second most favourable defect is the cation antisite, in which Na and Fe exchange their positions. The migration energies suggest that there is a very small difference in intrinsic Na mobility between the two polymorphs but their migration paths are completely different. A variety of aliovalent and isovalent dopants were examined. Subvalent doping by Co and Zn on the Fe site is calculated to be energetically favourable in α- and β-NaFeO2, respectively, suggesting the interstitial Na concentration can be increased by using this defect engineering strategy. Conversely, doping by Ge on Fe in α-NaFeO2 and Si (or Ge) on Fe in β-NaFeO2 is energetically favourable to introduce a high concentration of Na vacancies that act as vehicles for the vacancy-assisted Na diffusion in NaFeO2. Electronic structure calculations by using density functional theory (DFT) reveal that favourable dopants lead to a reduction in the band gap.

A sandwich structure assisted by defect engineering for higher thermoelectric performance in ZnO‐based films

2020 ◽  
Vol 104 (3) ◽  
pp. 1370-1378
Author(s):  
Zhifang Zhou ◽  
Yushuai Xu ◽  
Mingchu Zou ◽  
Chan Liu ◽  
Jinle Lan ◽  
...  
Keyword(s):  
Sandwich Structure ◽  
Thermoelectric Performance ◽  
Defect Engineering
Sign in / Sign up

Export Citation Format

Share Document