Two‐dimensional catalysts: from model to reality

Abstract Two‐dimensional (2D) materials have been utilized broadly in kinds of catalytic reactions due to their fully exposed active sites and special electronic structure. Compared with real catalysts, which are usually bulk or particle, 2D materials have more well‐defined structures. With easily identified structure‐modulated engineering, 2D materials become ideal models to figure out the catalytic structure‐function relations, which is helpful for the precise design of catalysts. In this review, the unique function of 2D materials was summarized from model study to reality catalysis and application. It includes several typical 2D materials, such as graphene, transition metal dichalcogenides, metal, and metal (hydr)oxide materials. We introduced the structural characteristics of 2D materials and their advantages in model researches. It emphatically summarized how 2D materials serve as models to explore the structure‐activity relationship by combining theoretical calculations and surface research. The opportunities of 2D materials and the challenges for fundamentals and applications they facing are also addressed. This review provides a reference for the design of catalyst structure and composition, and could inspire the realization of two‐dimensional materials from model study to reality application in industry.