CHEMICAL STATE OF HYDROGEN IN ZIRCONIUM OXIDE FILMS

氧化锆薄膜中氢的化学状态

• 批准号: 10480120
• 负责人: YAMANAKA Shinsuke
• 金额: $ 9.54万
• 依托单位: Osaka University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (B)
• 财政年份: 1998
• 资助国家: 日本
• 起止时间: 1998 至 1999
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-10480120/
• 关键词: photoelectrochemistry; zirconium; oxide film; hydrogen; electron state; n-type semiconductor; variational X α molecular orbital calculations; 分子軌道計算

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.

用热脱附法和交流阻抗谱分别研究了ィイD22ィエD2的氢溶行为和氢对ィイD22ィエD2电导率的影响。得到了氢在ィイ-D22-ィエ-D2中的溶解度随温度的变化关系，并根据间隙氢缺陷的反应对结果进行了分析。结果表明，ィイD22ィエD2的电导率随着水蒸气压力的增加而增加，这可能是由间隙质子传导引起的。这些结果使我们能够估计氢在ィイD22ィエD2中的扩散系数。用光电化学测量和离散变分X-α分子轨道计算方法研究了氧化锆膜中氢的化学状态。利用光电流谱研究了氢气充电对纯锆基氧化物光电化学性能的影响。由Mott-Schottky图估算了氢气充电诱导的电子态分布。从化学键性质出发，研究了氢气充电的电子机理。结果表明，氢引起禁带附近能级结构的变化，并在禁带内产生新的电子态。

项目成果

T. NISHIZAKI et al.: "Study on Hydrogen Diffusivity in Zirconium Oxide"Techno. Rep. Osaka University. 49. 110-125 (1999)

T. NISHIZAKI 等人：“氧化锆中氢扩散率的研究”Techno。

S. YAMANAKA et al.: "Hydrogen Dissolution into Zirconium Oxide"J. Alloys and compounds. 293-295. 38-41 (1999)

S. YAMANAKA 等：“氢溶解成氧化锆”J。

S. YANAKA et al.: "Hydrogen Dissolution into Zirconium Oxide"J. Alloys and Compounds. 293-295. 38-41 (1999)

S. YANAKA 等：“氢溶解成氧化锆”J。

T. NISHIZAKI et al.: "Study on Hydrogen Diffusivity in Zirconium Oxide"Techno. Rep. Osaka University. 49. 119-125 (1999)

T. NISHIZAKI 等人：“氧化锆中氢扩散率的研究”Techno。