TEM image simulation of mesoporous crystals for structure type identification

摘要

Software, MesoPorelmage, for transmission electron microscope (TEM) image simulation of mesoporous crystals was developed. MesoPorelmage provides two-dimensional (2D) projected potential distributions along any directions as well as corresponding 2D TEM images calculated from a three-dimensional (3D) density distribution of an ideal mesoporous structure. In order to adjust the contrast of simulated TEM images to that observed, a parameter representing surface roughness on the pore surface is introduced. Simulated TEM images of four typical silica mesoporous crystals, MCM-48, AMS-10, SBA-16 and SBA-6 are shown and compared with observed ones, which shows the usefulness of the software for identification of the mesoporous structure type. A procedure for the identification of structure types of mesoporous crystals by using TEM and the simulation software is fully described.