Physics – Condensed Matter – Materials Science
Scientific paper
2011-11-24
Physics
Condensed Matter
Materials Science
4 pages
Scientific paper
Sodium cobaltate at high Na content is a promising thermoelectric material. It has been recently shown that oxygen vacancies can alter the material properties, reducing its figure of merit. However, experimental data about the oxygen stoichiometry are contradictory. We therefore studied the formation of oxygen vacancies in Na$_x$CoO$_2$ with first principles calculations, focusing on x=0.75. We show that a very low oxygen vacancy concentration is expected at the temperatures and partial pressures relevant for applications.
Casolo Simone
Løvvik Ole Martin
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