HREELS Investigations of Transition Metal Oxide-Adsorbate Interactions

这个项目是在分析和表面化学的一般领域和在表面振动光谱学的子领域。在这项为期三年的持续资助期间，Langell教授和她的学生将开发和测试计算程序，以提高高分辨率电子能量损失光谱（HREELS）在过渡金属氧化物（TMOs）吸附物研究中的适用性。HREELS已被证明是金属吸附物表征的宝贵工具。目前，由于来自衬底的强表面声子干扰了感兴趣的振动光谱信号，它对表征TMOs上吸附物的有用性有限。Langell教授的方法借鉴了最大熵法，开发了声子反褶积过程，以去除大部分干扰声子结构，并大大提高了tmo吸附物HREELS的分辨率。这个项目的目标的实现将使使用灵敏的振动光谱技术（HREELS）来详细表征TMOs上的吸附物。这种系统在化学催化中具有广泛的技术重要性。

This project is in the general area of analytical and surface chemistry and in the subfield of surface vibrational spectroscopy. During the tenure of this three-year continuing grant, Professor Langell and her students will develop and test computational procedures to enhance the applicability of high resolution electron energy loss spectroscopy (HREELS) to the study of adsorbates on transition metal oxides (TMOs). HREELS has proven to be an invaluable tool in the characterization of metal adsorbates. Presently, it is only of limited usefulness for the characterization of adsorbates on TMOs because intense surface phonons from the substrate interfere with the vibrational spectroscopic signals of interest. Professor Langell's approach draws upon the Maximum Entropy Method to develop a phonon deconvolution procedure to remove much of the interfering phonon structure and greatly improve the resolution of TMO-adsorbate HREELS. %%% Attainment of the goals of this project will enable the use of a sensitive vibrational spectroscopic technique (HREELS) for the detailed characterization of adsorbates on TMOs. Such systems are of broad technological importance in chemical catalysis.