Abstract—

Nanocrystalline PdO films have been characterized by X-ray diffraction, scanning electron microscopy, and electron probe microanalysis. The results demonstrate that thermal oxidation in an O₂ atmosphere causes ~35-nm-thick nanocrystalline Pd films on SiO₂/Si(100) substrates to undergo a sequence of phase transformations resulting in PdO formation, followed by PdO decomposition into metallic Pd at T > 1120 K. In the range 670–970 K, the a and c tetragonal cell parameters of the nanocrystalline PdO films increase monotonically with increasing temperature. The present and previously reported data have been used to construct a model for the unit cell in the crystal structure of palladium(II) oxide. Based on the quasi-chemical approach, we propose a model that accounts for the observed increase in the tetragonal cell parameters and the p-type conductivity of the nanocrystalline PdO films in terms of the formation of excess interstitial oxygen atoms.

中文翻译：

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热氧化过程中钯纳米膜的结构变化

摘要—

纳米晶PdO膜已通过X射线衍射，扫描电子显微镜和电子探针显微分析进行了表征。结果表明，在O ₂气氛中进行热氧化会导致SiO ₂ / Si（100）衬底上约35 nm厚的纳米晶Pd膜经历一系列相变，从而导致PdO形成，随后PdO分解为金属Pd。T  > 1120K。在670–970 K范围内，a和c纳米晶PdO薄膜的四方晶胞参数随温度升高而单调增加。当前和先前报道的数据已用于构建氧化钯（II）晶体结构中晶胞的模型。基于准化学方法，我们提出了一个模型，该模型考虑了根据过量间隙氧原子的形成而观察到的四方晶胞参数的增加和纳米晶PdO膜的p型电导率。