scholarly journals Gapped metals as thermoelectric materials revealed by high-throughput screening

2020 ◽  
Vol 8 (34) ◽  
pp. 17579-17594 ◽  
Author(s):  
Francesco Ricci ◽  
Alexander Dunn ◽  
Anubhav Jain ◽  
Gian-Marco Rignanese ◽  
Geoffroy Hautier
Keyword(s):  
Band Structure ◽  
Fermi Level ◽  
High Throughput ◽  
Thermoelectric Materials ◽  
High Throughput Screening ◽  
Degenerate Semiconductors

Gapped metals present in their band structure a gap near the Fermi level. This key feature makes these metals comparable to degenerate semiconductors and thus suitable as thermoelectrics. The present screening searches them systematically.

scholarly journals Screening for Cu–S based thermoelectric materials using crystal structure features

2017 ◽  
Vol 5 (10) ◽  
pp. 5013-5019 ◽  
Author(s):  
Rui-zhi Zhang ◽  
Kan Chen ◽  
Baoli Du ◽  
Michael J. Reece
Keyword(s):  
Crystal Structure ◽  
High Throughput ◽  
Thermoelectric Materials ◽  
High Throughput Screening

Using high throughput screening, thirteen compounds were identified as promising thermoelectric materials and two of them were successfully fabricated.

scholarly journals Correction: Computational and experimental investigation of TmAgTe2 and XYZ2 compounds, a new group of thermoelectric materials identified by first-principles high-throughput screening

2016 ◽  
Vol 4 (19) ◽  
pp. 4331-4331 ◽  
Author(s):  
Hong Zhu ◽  
Geoffroy Hautier ◽  
Umut Aydemir ◽  
Zachary M. Gibbs ◽  
Guodong Li ◽  
...  
Keyword(s):  
Experimental Investigation ◽  
High Throughput ◽  
Thermoelectric Materials ◽  
First Principles ◽  
High Throughput Screening

Correction for ‘Computational and experimental investigation of TmAgTe2 and XYZ2 compounds, a new group of thermoelectric materials identified by first-principles high-throughput screening’ by Hong Zhu et al., J. Mater. Chem. C, 2015, 3, 10554–10565.

scholarly journals High-Throughput Screening for Advanced Thermoelectric Materials: Diamond-Like ABX2 Compounds

2019 ◽  
Vol 11 (28) ◽  
pp. 24859-24866 ◽  
Author(s):  
Ruoxi Li ◽  
Xin Li ◽  
Lili Xi ◽  
Jiong Yang ◽  
David J. Singh ◽  
...  
Keyword(s):  
High Throughput ◽  
Thermoelectric Materials ◽  
High Throughput Screening

Discovery of High Performance Thermoelectric Chalcogenides Through First-Principles High-Throughput Screening

2021 ◽  
Author(s):  
Tao Fan ◽  
Artem R. Oganov
Keyword(s):  
Transport Properties ◽  
High Throughput ◽  
Thermoelectric Materials ◽  
First Principles ◽  
High Throughput Screening ◽  
High Performance ◽  
Energy Conversion Efficiency ◽  
High Energy ◽  
Energy And Environment ◽  
High Energy Conversion Efficiency

Searching for thermoelectric materials with high energy conversion efficiency is important to solve the energy and environment issues of our society. In this work, we studied the thermoelectric-related transport properties...

High-Throughput Screening for Combinatorial Thin-Film Library of Thermoelectric Materials

2008 ◽  
Vol 10 (2) ◽  
pp. 175-178 ◽  
Author(s):  
Masaki Watanabe ◽  
Takuji Kita ◽  
Tomoteru Fukumura ◽  
Akira Ohtomo ◽  
Kazunori Ueno ◽  
...  
Keyword(s):  
Thin Film ◽  
High Throughput ◽  
Thermoelectric Materials ◽  
High Throughput Screening ◽  
Film Library

High Throughput Screening Tools for Thermoelectric Materials

2014 ◽  
Vol 44 (6) ◽  
pp. 1688-1696 ◽  
Author(s):  
W. Wong-Ng ◽  
Y. Yan ◽  
M. Otani ◽  
J. Martin ◽  
K. R. Talley ◽  
...  
Keyword(s):  
High Throughput ◽  
Thermoelectric Materials ◽  
High Throughput Screening ◽  
Screening Tools

scholarly journals Computational and experimental investigation of TmAgTe2and XYZ2compounds, a new group of thermoelectric materials identified by first-principles high-throughput screening

2015 ◽  
Vol 3 (40) ◽  
pp. 10554-10565 ◽  
Author(s):  
Hong Zhu ◽  
Geoffroy Hautier ◽  
Umut Aydemir ◽  
Zachary M. Gibbs ◽  
Guodong Li ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Experimental Investigation ◽  
High Throughput ◽  
Thermoelectric Materials ◽  
First Principles ◽  
High Throughput Screening ◽  
Low Thermal Conductivity ◽  
High Band

Promising thermoelectric materials (XYZ2) with high band degeneracy and low thermal conductivity.

High-Throughput Screening of Sulfide Thermoelectric Materials Using Electron Transport Calculations with OpenMX and BoltzTraP

2017 ◽  
Vol 47 (6) ◽  
pp. 3254-3259 ◽  
Author(s):  
Masanobu Miyata ◽  
Taisuke Ozaki ◽  
Tsunehiro Takeuchi ◽  
Shunsuke Nishino ◽  
Manabu Inukai ◽  
...  
Keyword(s):  
Electron Transport ◽  
High Throughput ◽  
Thermoelectric Materials ◽  
High Throughput Screening
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