Corrosion and Oxidation Studied by Valence Band Photoemission and X-Ray Diffraction

价带光电发射和 X 射线衍射研究腐蚀和氧化

• 批准号: 8922538
• 负责人: Peter M. Sherwood
• 金额: $ 25.11万
• 依托单位: Kansas State University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1990
• 资助国家: 美国
• 起止时间: 1990-05-01 至 1994-10-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8922538&HistoricalAwards=false
• 关键词: Corrosion; Oxidation; Studied; Valence; Band

This grant is in the general field of analytical and surface chemistry and the subfield of surface chemistry of metal corrosion and passivation. Professor Peter Sherwood will combine theoretical calculations of valence band density of states for estimations of spectral response with measurements of photoemission from core and valence levels to study the structure of oxide formation at polycrystalline metal surfaces and the structure of molecular species which inhibit corrosion. Unique facilities to combine x-ray diffraction with these measurements will allow in depth understanding of mechanisms of corrosion resistance. From these data, molecular design of such systems can be used for particular metal surfaces. X-alpha calculations of valence band density of states have been uniquely developed by Professor Sherwood for direct comparison to photoemission measurements. By using data from an in-situ electrochemical cell the entire process of passivation or corrosion can be followed. X-alpha calculations will be verified with other (e.g. ab initio) methods for simple systems and combined for direct comparison to photoemission measurements. Further verification of structure will be accomplished with thin film x-ray diffraction. The systems to be studied are active polycrystalline metals (iron, aluminum and nickel) in combination with specific organic corrosion inhibitors.

该赠款位于分析和表面化学的一般领域，以及金属腐蚀和钝化的表面化学子场。 彼得·舍伍德（Peter Sherwood）教授将结合状态的价带密度的理论计算，以估计光谱响应，并测量核心和价值水平的光发射，以研究多晶金属表面上氧化物形成的结构和抑制腐蚀的分子物种的结构。 将X射线衍射与这些测量结果相结合的独特功能将深入了解腐蚀性机制。 从这些数据中，这种系统的分子设计可用于特定的金属表面。 Sherwood教授已唯一开发了状态的价带密度的X-Alpha计算，以直接比较光发射测量。 通过使用原位电化学细胞的数据，可以遵循整个钝化或腐蚀过程。 X-Alpha计算将使用其他（例如AB始于）的简单系统方法进行验证，并合并与光发射测量直接比较。 通过薄膜X射线衍射将进一步验证结构。 要研究的系统是活性多晶金属（铁，铝和镍）以及特定的有机腐蚀抑制剂。