您当前所在位置: 首页 > 首发论文
筛选条件

时间

领域

全部

材料科学(1)

中医学与中药学(0)

临床医学(0) 显示更多>>

交通运输工程(0) 体育科学(0) 信息科学与系统科学(0) 农学(0) 冶金工程技术(0) 力学(0) 动力与电气工程(0) 化学(0) 化学工程(0) 图书馆、情报与文献学(0) 土木建筑工程(0) 地球科学(0) 基础医学(0) 天文学(0) 安全科学技术(0) 工程与技术科学基础学科(0) 心理学(0) 教育学(0) 数学(0) 机械工程(0) 林学(0) 核科学技术(0) 水产学(0) 水利工程(0) 测绘科学技术(0) 物理学(0) 环境科学技术(0) 生物学(0) 电子、通信与自动控制技术(0) 畜牧科学、动物医学(0) 矿山工程技术(0) 管理学(0) 纺织科学技术(0) 经济学(0) 能源科学技术(0) 航空航天科学技术(0) 药学(0) 计算机科学技术(0) 预防医学与卫生学(0) 食品科学技术(0)

学术评议

实时热搜榜

SiC65203

人工智能52243

基因46583

数据挖掘26182

可靠性23770

我的筛选 >
2003-2022 全部
为您找到包含“zirconia electrolytes”的内容共1

LI Feng,LU Ruifeng,WU Haiping,KAN Erjun,XIAO Chuanyun,DENG Kaiming,Don E. Ellis

Density functional theory calculations and first-principles molecular dynamics (MD) simulations have been performed to examine the strain effect on the colossal oxygen ionic conductivity in selected sandwich structures of zirconia electrolytes. For the KTaO3/YSZ/KTaO3 sandwich structure with 9.7% lattice mismatch, transition state calculations indicate that the strain effect changes the oxygen migration pathways from straight line into zigzag form and reduces the energy barrier by 0.2 eV. On the basis of our computational results, a possible oxygen ion diffusion highway is suggested. By finite-temperature MD simulations, an activation barrier of 0.33 eV is obtained, corresponding to an oxygen ionic conductivity which is 6.4×107 times higher than that of the unstrained bulk zirconia at 500 K. A nearly linear relationship is identified between the energy barrier and the lattice mismatch in the sandwich structures.

2014-05-22

Special Foundation for Ph.D. Programs of the Ministry of Education of China (No. 20103219110032

Department of Applied Physics, Nanjing University of Science and Technology, Nanjing 210094, China,Department of Applied Physics, Nanjing University of Science and Technology, Nanjing 210094, China,Department of Applied Physics, Nanjing University of Science and Technology, Nanjing 210094, China,Department of Applied Physics, Nanjing University of Science and Technology, Nanjing 210094, China,Department of Applied Physics, Nanjing University of Science and Technology, Nanjing 210094, China,Department of Applied Physics, Nanjing University of Science and Technology, Nanjing 210094, China,Department of Physics and Astronomy, Northwestern University, Evanston, IL 60208, USA

#Materials Science#

0评论(0 分享(102)