Effect of Eley-Rideal process on the phase diagram of a monomer-dimer catalytic reaction on (001) surface and subsurface of a simple cubic structure

摘要

We have investigated the effects of the Eley-Rideal (ER) process on the phase diagram of the Langmuir-Hinshelwood (LH) type monomer-dimer (CO-O-2) catalytic reaction on (001) surface and subsurface of a simple cubic structure. With the consideration of a new pathway in which a dimer is adsorbed in such a way that it takes one surface site whereas second site may be from a surface or from a subsurface, a situation close to experiments is observed, i.e., with slight introduction of the monomer (CO), the production of AB(2) starts. In this case, the qualitative trend of surface oxygen coverage is consistent with the experimental situation.