Electrochemical energy storage is a promising route to relieve the increasing energy and environment crises, owing to its high efficiency and environmentally friendly nature. However, it is still challenging to realize its widespread application because of unsatisfactory electrode materials, with either high cost or poor activity and new electrode materials are urgently needed. Two‐dimensional (2 D) materials are possible candidates, owing to their unique geometry and physicochemical properties. This Review summarizes the latest advances in the development of 2 D materials for electrochemical energy storage. Computational investigation and design of 2 D materials are first introduced, and then preparation methods are presented in detail. Next, the application of such materials in supercapacitors, alkali metal‐ion batteries, and metal–air batteries are summarized comprehensively. Finally, the challenges and perspectives are discussed to offer a guideline for future exploration of high‐efficiency 2 D materials for electrochemical energy storage.