A novel model consisting of basic micro-processes has been developed on the basis of the classic diffusion theory. It is first time that the concept of exchange rate has been introduced and the growing process of surfactant-mediated epitaxial thin-film growth has been simulated with Kinetic Monte Carlo (KMC) technique. The results of simulation found that the exchange reaction of RLA model is a...

bond-order conservation-morse potential (boc-mp) method is used to carry out the calculationon the co2+ h20 system. one of the best catalysts for methanol synthesis in catalytic reductionof co2 with h2o is cu/zno/a1203 whose surface is supported by with some amount of pd orga. reduction of co2 with h20 on cu will result in methanol formation; while on ni will lead tomethane formation. in the me...