CHEMICAL STATE OF HYDROGEN IN ZIRCONIUM OXIDE FILMS

The hydrogen dissolution behavior of Zr0イイD22イエD2 and the influence of hydrogen on the electical conductivity of Zr0イD22イエD2 have been examined using a thermal desorption method and a impedance spectroscopy， respectively。The dependence of hydrogen solubility in Zr0イD22イエD2 on the temperature was obtained and the results were analyzed on the basis of the reaction involving an interstitial hydrogen defect。ZrO-D22-D2的电行为被发现可以在水蒸汽压力下增加，从国际质子行为中得到结果。These results enabled us to estimate the hydrogen diffusivity in Zr0イイD22イエD2. The chemical states of hydrogen in zirconium oxide films were examined使用光电化学测量和离散变异X α分子轨道计算。氢对氧化物形成的光电化学性质的氢充电的影响，该特性是从一种光反应光谱中评估的。氢充电所指的电子国家的分布是根据Mott-Schottky Plots估计的。氢充电的电子机制是在化学键字符的术语中研究的。它发现了氢导致了能量水平结构在带隙附近的变化，并在带隙中产生了新的电子国家。

The hydrogen dissolution behavior of Zr0ィイD22ィエD2 and the influence of hydrogen on the electrical conductivity of Zr0ィイD22ィエD2 have been examined using a thermal desorption method and a impedance spectroscopy, respectively. The dependence of hydrogen solubility in Zr0ィイD22ィエD2 on the temperature was obtained and the results were analyzed on the basis of the reaction involving an interstitial hydrogen defect. The electrical conductivity of ZrOィイD22ィエD2 was found to increase with water vapor pressure, which appeared to result from interstitial proton conduction. These results enabled us to estimate the hydrogen diffusivity in Zr0ィイD22ィエD2. The chemical states of hydrogen in zirconium oxide films were examined using the photoelectrochemical measurements and discrete variational X α molecular orbital calculations. Effects of hydrogen charging on the photoelectrochemical properties of the oxides formed on pure Zr were evaluated from a photocurrent action spectrum. The distribution of electron states induced by hydrogen charging was estimated from the Mott-Schottky plots. Electronic mechanisms of hydrogen charging were studied in terms of the chemical bonding character. It is found that hydrogen causes the change in the energy level structure near the band gap and produce new electron states in the band gap.