Berlin 2014 – scientific programme
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MO: Fachverband Molekülphysik
MO 18: Theory 3: Quantum Chemistry
MO 18.7: Talk
Thursday, March 20, 2014, 15:30–15:45, BEBEL SR144
Reflectance Anisotropy spectrum of water covered Cu(110) surface studied from first principles. — •Amirreza Baghbanpourasl1, Kurt Hingerl1, and Wolf Gero Schmidt2 — 1Johannes Kepler University Linz — 2University of Paderborn
In this contribution we study Reflectance Anisotropy Spectroscopy (RAS) of Cu(110) surface covered with different water structures. Reflectance Anisotropy Spectroscopy is a simple and useful optical surface sensitive probe which can be used to study water covered surfaces. Theoretical calculations that are necessary to aid preparing experimental setup and to interpret the results are not present in literature for water covered copper surface. For this purpose we used Density Functional Theory to calculate dielectric constant and then RAS of Cu(110) surface with the latest studied water adsorbed structures. At the end the effect of different adsorption structures on RAS and surface states is studied.