Ba6−3x Nd8+2x Ti18O54 Tungsten Bronze: A New High-Temperature n-Type Oxide Thermoelectric

• DOI: 10.1007/s11664-015-4275-6
• Publication Date: 2015-12-30T09:40:18Z
• Authors: Feridoon Azough; Robert Freer; Stephen R. Yeandel; Jakub D. Baran; Marco Molinari; Stephen C. Parker; Emmanuel Guilmeau; Demie Kepaptsoglou; Quentin Ramasse; Andy Knox; Duncan Gregory; Douglas Paul; Manosh Paul; Andrea Montecucco; Jonathan Siviter; Paul Mullen; Wenguan Li; Guang Han; Elena A. Man; Hasan Baig; Tapas Mallick; Nazmi Sellami; Gao Min; Tracy Sweet
• Keywords: 02 engineering and technology; Molecular dynamics; 530; 01 natural sciences; Modelling; Titanate; [CHIM] Chemical Sciences; 0103 physical sciences; [CHIM.CRIS]Chemical Sciences/Cristallography; Materials Chemistry; [CHIM]Chemical Sciences; [CHIM.CRIS] Chemical Sciences/Cristallography; Electrical and Electronic Engineering; [CHIM.MATE] Chemical Sciences/Material chemistry; Oxide ceramic; Thermoelectric; [CHIM.MATE]Chemical Sciences/Material chemistry; 540; Condensed Matter Physics; 16. Peace & justice; Electronic, Optical and Magnetic Materials; [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry; [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry; TA; Thermal conductivity; Tungsten bronze; 0210 nano-technology

Semiconducting Ba6−3x Nd8+2x Ti18O54 ceramics (with x = 0.00 to 0.85) were synthesized by the mixed oxide route followed annealing in a reducing atmosphere; their high-temperature thermoelectric properties have been investigated. In conjunction with experimental observations, atomistic simulations performed investigate anisotropic behavior of lattice thermal conductivity. The show promising n-type relatively high Seebeck coefficient, moderate electrical conductivity, and temperature-stable, low conductivity; For example, composition 0.27 (i.e., Ba5.19Nd8.54Ti18O54) exhibited coefficient S 1000K 210 µV/K, conductivity σ 60 S/cm, k 1.45 W/(m K), leading ZT value 0.16 at 1000 K.