The processes of photocatalytic CO 2 reduction (pCO 2 R) and electrochemical CO 2 reduction (ECO 2 R) have attracted considerable interest owing to their high potential to address many environmental and energy-related issues. In this aspect, a single Cu atom decorated on a carbon nitride (CN) surface (Cu-CN) has gained increasing popularity because of its unique advantages, such as excellent atom utilization and ultrahigh catalytic activity. CN-particularly graphitic CN (g-C 3 N 4 )-is a photo-and electrocatalyst and used as an important support material for single Cu atom-based catalysts. These key functions of Cu-CN-based catalysts can improve the catalytic performance and stability in the pCO 2 R and ECO 2 R during the application process. In this review, we focus on Cu as a single metal atom decorated on CN for efficient photoelectrochemical CO 2 reduction (pECO 2 R), where ECO 2 R increases the electrocatalytic active area and promotes electron transfer, while pCO 2 R enhances the surface redox reaction by efficiently using photogenerated charges and offering integral activity as well as an active interface between Cu and CN. Interactions of single Cu atom-based photo-, electro-, and photoelectrochemical catalysts with g-C 3 N 4 are discussed. Moreover, for a deeper understanding of the history of the development of pCO 2 R and ECO 2 R, the basics of CO 2 reduction, including pCO 2 R and ECO 2 R over g-C 3 N 4 , as well as the structural composition, characterization, unique design, and mechanism of a single atom site are reviewed in detail. Finally, some future prospects and key challenges are discussed.