Static and Dynamic Properties of a Dipole Chemisorbed on a Metal

摘要: The interaction of a dipole with metal surface is interest in at least two ways. Firstly, it can be use as prototypical adsorption problem. chemisorption some polar molecules may described by the an extended dipole. Secondly, starting point modelling properties solid/solution interface. In electrochemical literature several such models have been presented for double layer. Here one distinguish three approaches. Models using classical electrostatics were first to developed. these represented classical, infinitely conducting plane and solution dipoles or /1–3/. second approach uses methods from statistical physics, representing hard wall charges embedded spheres /4–6/. recent years this has more realistic representation jellium model allow electronic spill over /7,8/. These latter works raise questions concerning effects screening on adsorbed charges. The structure interacting calculated self-consistently consisting oriented perpendicular /9,10/. Strong differences different orientations give rise asymmetries both energy induced moment. total moment (i.e. bare plus moment) depends magnitude moment, but almost independent construction given Near strongly screened. Further insight into gained studying damping rate internal vibrational stretch mode due electron-hole pair excitations. size correlates that density states Fermi level sensitive This dependence illustrates importance close chemisorbed molecule context. local character, primarily being compensation positive charge adsorbate-induced resonance localized around negative repulsion conduction electrons near it. should directly extendable LiF LiH.