Abstract The mechanism of passivity breakdown on Cu 2 O films was studied. The thickness and components of the film were estimated by EIS, AES and XPS analyses. The structural relaxations, energies, electronic properties and diffusion coefficients were calculated by first-principles calculations. Both the experimental and calculated results demonstrate that the film thinning is due to the adsorption of Cl − on the surface instead of a penetration process. The inner point defects facilitate the adsorption of Cl − , and the introduction of Cl − , in turn, increases the transport rate of point defects. A theoretical model was proposed, which is also applicable to local breakdown.

中文翻译：

---

Cu 2 O 膜上 Cl - 诱导的钝化击穿的电化学测量和原子模拟

摘要 研究了Cu 2 O薄膜钝化击穿的机理。薄膜的厚度和成分通过 EIS、AES 和 XPS 分析估计。通过第一性原理计算计算结构弛豫、能量、电子性质和扩散系数。实验和计算结果都表明薄膜变薄是由于 Cl - 在表面上的吸附而不是渗透过程。内部点缺陷促进了Cl - 的吸附，而Cl - 的引入又增加了点缺陷的传输速率。提出了一个理论模型，该模型也适用于局部击穿。