Over the past decades, the photocatalytic materials that directly convert solar light into chemical energy had been extensively explored for energy and environmental applications. To improve the photocatalytic activity, not only the surface area but also the crystalline morphology should be controlled. The facets exposed on photocatalyst surface could affect the photocatalytic performance through various working mechanisms. Among the top-down approaches, the directional chemical etching is widely used to engineer the surface facets of photocatalytic semiconductors due to its low cost and simplicity. The featured surface morphologies are crucially affected by various processing parameters in directional chemical etching, such as the crystal orientation of the surface, the composition of the etchant, the etchant concentration, and temperature. To well understand and give insights into the growth mechanism of faceted morphologies by directional chemical etching, in this study a kinetic model was established to simulate the process of anisotropic chemical etching. By tuning the numerical parameters, such the etching rate, temperature, and the crystalline orientation, in the simulations, the effects of the relevant experimental parameters on the formation and evolution of faceted morphologies can be realized. Affecting by the anisotropy of the crystalline structures and etching rate, various featured surface morphologies, including the cusp-like hillock and nano-pyramid, were numerically reconstructed in accordance with the etching experiments. This numerical investigation has improved the practical knowledge for directional chemical etching to enhance the manufacturing process for photocatalytic materials.