Owing to unique structures and properties, 2D layered materials have exhibited great potentials for energy-related applications. Among these, 2D Bi-based layered materials which possess intriguing characteristics for energy conversion and storage systems have attracted tremendous attention. In this review, the structural and electronic properties of 2D Bi-based layered materials classified into four categories (unitary, binary, ternary and multinary) are introduced. Their promising applications in energy conversion and storage are reviewed in details, with particular emphasis on photocatalysis, electrocatalysis, solar cells, thermoelectrics, optoelectronics and rechargeable batteries. Finally, based on current research progress, future perspectives for exploring and developing advanced 2D Bi-based layered energy conversion and storage materials are presented.