Quantitative surface structure determination using in situ high-energy SXRD: Surface oxide formation on Pd(100) during catalytic CO oxidation

We have performed a quantitative structure determination of the 5×5R27° surface oxide, formed on Pd(100) under semi-realistic conditions for catalytic CO oxidation, using in situ high-energy surface X-ray diffraction. We describe the experiment and the extraction of quantitative data in detail. The structural results are in agreement with previous reports of a system consisting of a single layer of PdO(101) formed in pure O2 on top of Pd(100) and studied under ultra-high vacuum conditions.