Understanding of role of Li in high-performance Pb-free Li-doped (Ba0.85Ca0.15)(Ti-0.9 Zr-0.1)O-3 piezoceramics from theory and experiments
文献类型：期刊论文
| 作者 | Chen, Xiaoming; Zeng, Jiangtao; Kim, Dokyun; Zheng, Liaoying; Lou, Qiwei; Park, Chul Hong; Li, Guorong |
| 刊名 | MATERIALS CHEMISTRY AND PHYSICS
 |
| 出版日期 | 2019-06-01 |
| 卷号 | 231页码:173 |
| 关键词 | Lead-free ceramics Activation energy Phase transitions Impurities First-principles calculations |
| ISSN号 | 0254-0584 |
| DOI | 10.1016/j.matchemphys.2019.04.011 |
| 文献子类 | Article |
| 英文摘要 | The role of Li in the Li-doped (Ba0.85Ca0.15)(Ti0.9Zr0.1)O-3 (BCTZL-x) perovskite ceramic are investigated through the measurements of electrical, structural and ferroelectric properties, whose analysis is assisted by the first-principles atomic calculations. The results show that Li is expected to be located normally at A-site, but the excess of Li promotes the formation of B-site Li in the Li-rich condition, which are evidenced by (i) the increase of lattice constants and phase transition by Li-addition and (ii) the increase in the activation energy of the ionic conductivity, which is consistent with the strong interaction between B-site Li and O-V that is supported by the formation enthalpies and electronic structures of the various Li-driven states. |
| WOS研究方向 | Materials Science |
| 语种 | 英语 |
| 出版者 | ELSEVIER SCIENCE SA |
| 源URL | [http://ir.sic.ac.cn/handle/331005/27064]  |
| 专题 | 中国科学院上海硅酸盐研究所 |
| 推荐引用方式 GB/T 7714 | Chen, Xiaoming,Zeng, Jiangtao,Kim, Dokyun,et al. Understanding of role of Li in high-performance Pb-free Li-doped (Ba0.85Ca0.15)(Ti-0.9 Zr-0.1)O-3 piezoceramics from theory and experiments[J]. MATERIALS CHEMISTRY AND PHYSICS,2019,231:173. |
| APA | Chen, Xiaoming.,Zeng, Jiangtao.,Kim, Dokyun.,Zheng, Liaoying.,Lou, Qiwei.,...&Li, Guorong.(2019).Understanding of role of Li in high-performance Pb-free Li-doped (Ba0.85Ca0.15)(Ti-0.9 Zr-0.1)O-3 piezoceramics from theory and experiments.MATERIALS CHEMISTRY AND PHYSICS,231,173. |
| MLA | Chen, Xiaoming,et al."Understanding of role of Li in high-performance Pb-free Li-doped (Ba0.85Ca0.15)(Ti-0.9 Zr-0.1)O-3 piezoceramics from theory and experiments".MATERIALS CHEMISTRY AND PHYSICS 231(2019):173. |
入库方式： OAI收割
来源：上海硅酸盐研究所
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