Brønsted activity of two-dimensional zeolites compared to bulk materials

Abstract

Different reactivity parameters yield different results for the relative acidity of zeolitic Brønsted sites in thin films and in bulk materials. Whereas the adsorption energies of ammonia and pyridine are about the same, the energy of deprotonation is much lower for two-dimensional systems than for three-dimensional systems. It is shown that this is due to the smaller effective dielectric constant of two-dimensional systems, which leads to much lower deprotonation energies, but also to much lower interaction energies between the protonated molecule and the negatively charged surface site. In the total adsorption energies, both effects nearly compensate each other.