Multi-slice frozen phonon simulations of high-angle annular dark field scanning transmission electron microscopy images of the structurally and compositionally complex Mo–V–Nb–Te oxide catalyst

Abstract

We report frozen phonon multi-slice image simulations for the complex oxidation catalyst M1. Quantitative analysis of the simulations suggests that the detailed order of the cations along the electron propagation direction in a [001] zone axis orientation can lead to different high-angle annular dark field signals from atomic columns with identical composition. The annular dark field signal varies linearly with atomic percent V, and the spread of intensities due to the atomic species order is of similar magnitude to the intensity difference due to ±?5% V.