Recent Advances on Carbon‐Based Metal‐Free Electrocatalysts for Energy and Chemical Conversions

Abstract Over the last decade, carbon‐based metal‐free electrocatalysts (C‐MFECs) have become important in electrocatalysis. This field is started thanks to the initial discovery that nitrogen atom doped carbon can function as a metal‐free electrode in alkaline fuel cells. A wide variety of metal‐free carbon nanomaterials, including 0D carbon dots, 1D carbon nanotubes, 2D graphene, and 3D porous carbons, has demonstrated high electrocatalytic performance across a variety of applications. These include clean energy generation and storage, green chemistry, and environmental remediation. The wide applicability of C‐MFECs is facilitated by effective synthetic approaches, e.g., heteroatom doping, and physical/chemical modification. These methods enable the creation of catalysts with electrocatalytic properties useful for sustainable energy transformation and storage (e.g., fuel cells, Zn‐air batteries, Li‐O₂ batteries, dye‐sensitized solar cells), green chemical production (e.g., H₂O₂, NH₃, and urea), and environmental remediation (e.g., wastewater treatment, and CO₂ conversion). Furthermore, significant advances in the theoretical study of C‐MFECs via advanced computational modeling and machine learning techniques have been achieved, revealing the charge transfer mechanism for rational design and development of highly efficient catalysts. This review offers a timely overview of recent progress in the development of C‐MFECs, addressing material syntheses, theoretical advances, potential applications, challenges and future directions.