Structure and Binding Site of Acetate on Pd(111) Determined Using Density Functional Theory and Low Energy Electron Diffraction
نویسندگان
چکیده
Acetate adsorbs on Pd(111) as a disordered overlayer. We have used a recently developed LEED I/V technique that allows the structure of disordered molecular overlayers to be examined to determine the structure of acetate adsorbed on Pd(111). Our experimental results are compared with plane-wave Density Functional Theory calculations. The calculated and observed adsorption geometries are in excellent agreement. ∗ Corresponding author. Email: [email protected]
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تاریخ انتشار 2005