Abstract
A combination of experimental and computational techniques has been employed to explore the crystal structure and thermoelectric properties of the A-site-deficient La1/3NbO3. Ab initio simulations predict that the system’s thermoelectric properties change as a function of the electron doping concentration, which atomic-scale characterization suggests can be achieved by modifying the local structure. This offers a pathway to nanostructuring, into a promising and efficient thermoelectric material.
Original language | English |
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Journal | Inorganic Chemistry |
Early online date | 19 Dec 2017 |
DOIs | |
Publication status | Published - 2017 |