Abstract Simulating the characteristics and achieving specific functions of biological systems are stirring but challenging. Developing biomimetic leaves (BLs) with functions such as photosynthesis, transpiration, and solar spectrum similarity receives great attention. With increasingly developed hyperspectral imaging techniques, though BLs for solar spectrum similarity have made significant strides, they are still grappling with low similarity and single function. In this review, first, the tissue and optical path of natural leaves are analyzed. Then, the spectral characteristics of the up‐to‐date pigments for single functional and multifunctional BLs are summarized. The importance of multifunctional BLs is highlighted. Notably, organic–inorganic hybrid pigments with vibrant colors and multifunction, show boundless promise. At last, insights into perspectives and challenges on BLs for solar spectrum similarity are provided. This review contributes profound insights into the biomimetic materials toward natural plants.