Abstract
The advancement of computational tools for material property predictions enables broad search of novel materials for various energy-related applications. However, challenges still exist in accurately predicting the mean free paths (MFFs) of electrons and phonons in a high-throughput frame for thermoelectric property predictions, which largely hinders the computation-driven search for novel materials. In this work, this need is eliminated under the small-grain-size limit, in which these MFPs are restricted by the grain sizes within a bulk material. A new criterion for ZT evaluation is proposed for general nanograined bulk materials and is demonstrated with representative oxides.
Original language | English (US) |
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Title of host publication | Mechanics of Energy Storage and Conversion - Batteries, Thermoelectrics and Fuel Cell |
Publisher | Materials Research Society |
Pages | 25-30 |
Number of pages | 6 |
Volume | 1774 |
ISBN (Electronic) | 9781510826298 |
DOIs | |
State | Published - 2015 |
Event | 2015 MRS Spring Meeting - San Francisco, United States Duration: Apr 6 2015 → Apr 10 2015 |
Other
Other | 2015 MRS Spring Meeting |
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Country | United States |
City | San Francisco |
Period | 4/6/15 → 4/10/15 |
ASJC Scopus subject areas
- Materials Science(all)
- Condensed Matter Physics
- Mechanics of Materials
- Mechanical Engineering