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Synergistically Optimizing Electrical and Thermal Transport Properties of BiCuSeO via a Dual‐Doping Approach
Authors:Yong Liu  Li‐Dong Zhao  Yingcai Zhu  Yaochun Liu  Fu Li  Meijuan Yu  Da‐Bo Liu  Wei Xu  Yuan‐Hua Lin  Ce‐Wen Nan
Institution:1. Beijing Institute of Aeronautical Materials, AVIC, Beijing, P. R. China;2. School of Materials Science and Engineering, Beihang University, Beijing, P. R. China;3. Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing, P. R. China;4. State Key Laboratory of New Ceramics and Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing, P. R. China;5. Advanced Materials Institute, Graduate School at Shenzhen, Tsinghua University, Shenzhen, P. R. China;6. Rome International Center for Materials Science, Superstripes, RICMASS, Roma, Italy
Abstract:The layered oxyselenide BiCuSeO system is known as one of the high‐performance thermoelectric materials with intrinsically low thermal conductivity. By employing atomic, nano‐ to mesoscale structural optimizations, low thermal conductivity coupled with enhanced electrical transport properties can be readily achieved. Upon partial substitution of Bi3+ by Ca2+ and Pb2+, the thermal conductivity can be reduced to as low as 0.5 W m?1 K?1 at 873 K through dual‐atomic point‐defect scattering, while a high power factor of ≈1 × 10?3 W cm?1 K?2 is realized over a broad temperature range from 300 to 873 K. The synergistically optimized power factor and intrinsically low thermal conductivity result in a high ZT value of ≈1.5 at 873 K for Bi0.88Ca0.06Pb0.06CuSeO, a promising candidate for high‐temperature thermoelectric applications. It is envisioned that the all‐scale structural optimization is critical for optimizing the thermoelectricity of quaternary compounds.
Keywords:all‐scale structural optimization  BiCuSeO  dual‐doping  nanoclusters  ZT
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