The effect of Ag + on the thermoelectric properties of Sm 3+ - and Ti 4+ - co-doped KSr 2 Nb 5 O 15 ceramics: a combined first-principles and experimental study on synergistic optimization of thermal and electrical transport

Key Points

• This research investigates how Ag+ doping affects the thermoelectric properties of Sm3+ and Ti4+ co-doped KSr2Nb5O15 ceramics.
• First-principles calculations to analyze theoretical predictions.
• Experimental testing of ceramics with varying levels of Ag+ doping.
• Assessment of thermal and electrical transport properties.
• Ag+ doping significantly reduces thermal conductivity, particularly at high levels.
• Lattice anharmonicity and Umklapp scattering contribute to decreased thermal conductivity.
• Point defects and oxygen vacancies serve as effective phonon scatter centres.