Molecular Orbital Studies of Chemisorption Hydrogen on Metals

Abstract

In the last few decades an increasing amount of research on surface and adsorption phenomena, experimental as well as theoretical, has been published. The main motives for these studies can be found in the development of semiconductor technology and in the importance of heterogeneous catalysis for many chemical processes. Recently, the so-called energy crisis has given a strong stimulus to the fundamental research on surface phenomena in order to obtain a better understanding of heterogeneous catalysis. For instance, considerable interest exists in catalysts for the gasification or liquefaction of coal, with simultaneous removal of sulfur and nitrogen. The exploitation of oil shale and tar sands involves similar problems. Also the environmental legislation in the USA has caused an important impact on the research of catalysts suitable for (automobile) emission control devices.