硅酸盐学报2011，Vol.39Issue(10)：1541-1545,5.
Sr掺杂对Ca3Co4O9热电性能的影响与理论分析
Theoretical Analysis and Thermoelectric Properties of Ca3Co409 with Sr Doped
摘要
Abstract
The Sr doping in Ca3Co409 material had an effect on the thermoelectric properties of Ca3Co409. A theoretical model of Ca3Co409 with different Sr-doped ratios was proposed to explain the phenomena from chemical bonds by density function and discrete variation method （DFT-DVM）. It was found that compared to the non-doped system, the lower electric resistivity was obtained and the Seebeck coefficient was decreased slightly at St-doped ratio of 0.05. However, the Seebeck coefficient was increased and the electric resistivity was not decreased at the Sr-doped ratio of 0.10. The electrical transportation had a characteristic of hopping conduction at 473-773 K. The cluster theoretical model was proposed to analyze the chemical bonds. The chemical bonds along c axis was more intensive than those in ab-plane in Ca2C003 layer, and the weaker chemical bond between Ca and O could play the role of connection between C002 and Ca2CoO3 layers. The chemical bonds became weaker when Sr-doped ratio was 0.08, which could favor the electric resistivity. The chemical bonds of systems increased with increasing the doping ratio. It was indicated that the doping of Sr element in Ca3C0409 material could improve the thermoelectric property, but the doped ratio could not exceed 0.10.关键词
层状氧化物/热电性能/溶胶凝胶法/化学键Key words
layer oxide/thermoelectric property/sol-gel method/chemical bonds引用本文复制引用
邢学玲,刘小满,杨雷,罗树琼..Sr掺杂对Ca3Co4O9热电性能的影响与理论分析[J].硅酸盐学报,2011,39(10):1541-1545,5.基金项目
国家自然科学基金(50802025) （50802025）
河南理工大学博士基金资助项目. （）
