Determination of Crystallographic Orientation and Exposed Facets of Titanium Oxide Nanocrystals

Abstract Titanium dioxide (TiO₂) nanocrystals have attracted great attention in heterogeneous photocatalysis and photoelectricity fields for decades. However, contradicting conclusions on the crystallographic orientation and exposed facets of TiO₂ nanocrystals frequently appear in the literature. Herein, using anatase TiO₂ nanocrystals with highly exposed {001} facets as a model, the misleading conclusions that exist on anatase nanocrystals are clarified. Although TiO₂‐001 nanocrystals are recognized to be dominated by {001} facets, in fact, anatase nanocrystals with both dominant {001} and {111} facets always co‐exist due to the similarities in the lattice fringes and intersection angles between the two types of facets (0.38 nm and 90° in the [001] direction, 0.35 nm and 82° in the [111] direction). A paradigm for determining the crystallographic orientation and exposed facets based on transmission electron microscopy (TEM) analysis, which provides a universal methodology to nanomaterials for determining the orientation and exposed facets, is also given.