Cocrystal Engineering: A Collaborative Strategy toward Functional Materials

Abstract Cocrystal engineering with a noncovalent assembly feature by simple constituent units has inspired great interest and has emerged as an efficient and versatile route to construct functional materials, especially for the fabrication of novel and multifunctional materials, due to the collaborative strategy in the distinct constituent units. Meanwhile, the precise crystal architectures of organic cocrystals, with long‐range order as well as free defects, offer the opportunity to unveil the structure–property and charge‐transfer–property relationships, which are beneficial to provide some general rules in rational design and choice of functional materials. In this regard, an overview of organic cocrystals in terms of assembly, containing the intermolecular interactions and growth methods, two functionality‐related factors including packing structure and charge‐transfer nature, and those advanced and novel functionalities, is presented. An outlook of future research directions and challenges for organic cocrystal is also provided.