Nature of versatile chemisorption on TiC(111) and TiN(111) surfaces

On chemisorption of polymers to solid surfaces

The irreversible adsorption of polymers to a two-dimensional solid surface is studied. An operator formalism is introduced for chemisorption from a polydisperse solution of polymers which transforms the analysis of the adsorption process to a set of combinatorial problems on a two-dimensional lattice. The time evolution of the number of polymers attached and the surface area covered are calcula...

CO chemisorption at metal surfaces and overlayers.

CO chemisorption on the surfaces of the golden cages.

We report a joint experimental and theoretical study of CO chemisorption on the golden cages. We find that the Au(17)(-) cage is highly robust and retains its cage structure in Au(17)(CO)(-). On the other hand, the Au(16)(-) cage is transformed to a structure similar to Au(17)(-) upon the adsorption of CO. Au(18)(-) is known to consist of two nearly degenerate structures, i.e., a cage and a pyr...

Quantum theory of dissociative chemisorption on metal surfaces.

Recent theoretical progress in gas-surface reaction dynamics, a field relevant to heterogeneous catalysis, is described. One of the most fundamental reactions, the dissociative chemisorption of H2 on metal surfaces, can now be treated accurately using quantum mechanics. Density functional theory is used to compute the molecule-surface interaction, and the motion of the hydrogen atoms is simulat...

Ammonia Chemisorption on Well-Defined SnO2 (110) Surfaces