Currently, low‐carbon economy is getting importance and electrochemical energy conversion and storage technologies can play an important role in this development. Fuel cells and metal–air batteries are considered as emerging and potential alternate to conventional combustion engines. However, there are real problems that need to be faced, such as the cost, activity, and stability of electrode materials/electrocatalysts for energy conversion and storage. Recent progress in the materials design and synthesis showed that carbon‐based materials such as metal‐coordinated N‐doped carbons have better performance for oxygen electrocatalysis (OER, ORR) in both fuel cells and batteries. The active sites, an important feature of these catalysts, can be tuned by changing metallic centers, heteroatom‐doping (electronic structure, chemical composition), and porosity of materials derived from several precursors. By combining experimental results and theoretical calculations, facts revealed that the dispersion and chemical environment (elements coordinated with metal atom) in the active sites are significantly affected by the presynthesis and pyrolysis conditions. Therefore, MOF‐based precursors are considered as important due to their porosity and surface area.