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

基本信息

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

项目摘要

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.

该资助属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领域。 Peter Sherwood 教授将把用于估计光谱响应的价带态密度的理论计算与核心光电发射和价态的测量结合起来，研究多晶金属表面氧化物形成的结构以及抑制腐蚀的分子物种的结构。将 X 射线衍射与这些测量相结合的独特设施将有助于深入了解耐腐蚀机制。根据这些数据，此类系统的分子设计可用于特定的金属表面。价带态密度的 X-alpha 计算是由 Sherwood 教授独特开发的，用于与光电发射测量进行直接比较。通过使用来自原位电化学电池的数据，可以跟踪钝化或腐蚀的整个过程。 X-alpha 计算将通过简单系统的其他（例如从头算）方法进行验证，并结合起来与光电发射测量进行直接比较。结构的进一步验证将通过薄膜X射线衍射来完成。要研究的系统是活性多晶金属（铁、铝和镍）与特定有机腐蚀抑制剂的组合。