钇掺杂ZrO_2中电导与氧空位跃迁的关系

分析了钇掺杂ＺｒＯ２中可能存在的氧空位跃迁类型，用静态计算方法计算了各种跃迁类型的空位跃迁能．在此基础上讨论了Ｙ２Ｏ３掺杂量变化对氧空位跃迁类型转化的影响，认为在掺杂量低于９．１ｍｏｌ％时，能量较低的空位跃迁类型是主要的，掺杂量高于９．１ｍｏｌ％时，能量高的空位跃迁类型逐渐占主导地位，这是ＹＳＺ电导率随着钇掺入量的增加有一个最大值的原因

The Relationship between Conductivity and Oxygen Vacancy Transition in Yttrium Doped ZrO 2

According to the positional relation between oxygen vacancies and Y 3+ , the type of transition of the oxygen vacancies in YSZ is analyzed, and the transition energy of each type is calculated with the static method. By the relation between the change of transition type and the amount of dopant Y 2O 3, it is found that when the amount of Y 2O 3 is below 9.1 mol%, the transition types of lower energy are dominant while the transition types of higher energy are dominant when the amount of the dopant exceeds 9.1 mol%. This is the reason why the conductivity of YSZ emerges a maximum as Y 2O 3 dopant increases.