Dynamics at surfaces

T. Zavada, R. Kimmich 1998, (The anomalous adsorbate dynamics at surfaces in porous media studied by nuclear magnetic resonance methods. The orientational structure and Levy walks), J. Chem. Phys. 109, 6929. 

The detailed microscopic description of a chemical reaction in terms of the motion of the individual atoms taking part in the event is known as the reaction dynamics. The study of reaction dynamics at surfaces is progressing rapidly these years, to a large extent because more and more results from detailed molecular beam scattering experiments are becoming available. 

Fortunately, the same limiting conditions that validate the friction approximation can also be used with time-dependent density functional theory to give a theoretical description of rjxx. This expression was originally derived to describe vibrational damping of molecules adsorbed on surfaces [71]. It was later shown to also be applicable to any molecular or external coordinate and at any location on the PES, and thus more generally applicable to non-adiabatic dynamics at surfaces [68,72]. The expression is... 

We illustrate these aspects of metalloprotein dynamics at surfaces by two specific proteins. One is the two-centre bacterial di-heme protein cyt c4 from Pseudomonas stutzeri, and the other is the fungal four-centre redox enzyme laccase from Polyporus versicolor. 

Zimmermann FM, Ho W. State resolved studies of photochemical dynamics at surfaces. Surf Sci Rep. 1995 22 127-247. 

Bonn M, Kleyn AW, Kroes GJ (2002) Real time chemical dynamics at surfaces. Surf Sci 500 475... 

This chapter will first describe the principles of experimental techniques which enable us to study the nuclear wavepacket dynamics at surfaces. We focus... 

In this chapter we have surveyed recent experimental progress on the investigation of ultrafast nuclear wavepacket dynamics at surfaces. Nuclear (or vibrational) wavepackets of adsorbates are excited with ultrashort laser pulses, and subsequently their evolutions are probed with surface nonlinear spectroscopy such as 2PPE and SHG. These studies provide rich information on the initial stages of photoinduced... 

This chapter does not cover the most common aspects of the solid-state NMR techniques employed in the study of heterogeneous catalysts such techniques are described in Chapter 4. Since this chapter emphasizes the surface characterization of silica and alumina systems and silica aluminas by NMR methods, only those technical aspects highly relevant to surface characterization and not otherwise emphasized in this volume are explicitly discussed here. NMR studies of zeolites and clays are treated in separate chapters, and the bulk structures of silica and alumina systems are covered by Eckert. Unavoidably this chapter is also concerned with dynamics at the surface, although the amount of detailed work on that subject to date is limited. With the increasing availability of variable-temperature solid-state NMR equipment, however, one can expect that attention devoted to dynamics at surfaces will increase markedly during the next few years. 

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