Journal of the European Ceramic Society ( IF 5.8 ) Pub Date : 2020-02-29 , DOI: 10.1016/j.jeurceramsoc.2020.02.063 Yongcheng Lu , Yuanxun Li , Daming Chen , Rui Peng , Qinghui Yang , Hua Su , Zhihua Tao , Shijun Zhang
The effect of Ni substitution on the thermal behavior, crystal structure, densification, and electrical properties of La0.5Sr0.5Co1–yNiyO3-δ (y = 0.00–0.08) (LSCN) ceramics was discussed based on experimental measurements and theoretical calculations to search for a ruthenium–free and lead–free conductive oxide for thick film resistors. Ceramics were synthesized by the solid–state reaction, and calculations were performed with first–principle density functional theory (DFT). Results showed that the replacement of Ni ion to Co ion could help decrease the densification temperature and enhance the densification level and improve the conductivity of LSCN. Theoretical calculations, including the crystal structure, bond population, total energy, and density of states (DOS), supported the experimental results well. The maximum conductivity of 3155 S/cm was achieved as y = 0.04 was sintered at 1200 °C, and the peak temperature coefficient of resistance (TCR) of 2405.7 ppm/°C occurred at y = 0.06.
中文翻译:
镍取代的La 0.5 Sr 0.5 CoO 3−δ陶瓷增强电性能的实验和理论研究
Ni替代对La 0.5 Sr 0.5 Co 1 -y Ni y O3 -δ的热行为,晶体结构,致密化和电学性质的影响(y = 0.00–0.08)(LSCN)陶瓷是基于实验测量和理论计算而讨论的,以寻求用于厚膜电阻器的无钌和无铅导电氧化物。通过固相反应合成陶瓷,并用第一原理密度泛函理论(DFT)进行计算。结果表明,将镍离子替换为钴离子可以帮助降低致密化温度,提高致密化水平,提高LSCN的电导率。理论计算,包括晶体结构,键总数,总能量和态密度(DOS),都很好地支持了实验结果。当在1200°C下烧结y = 0.04时,实现了3155 S / cm的最大电导率,并且在y = 0时出现了2405.7 ppm /°C的峰值电阻温度系数(TCR)。