Room‐Temperature Activation of Molecular Oxygen Over a Metal‐Free Triazine‐Decorated sp2‐Carbon Framework for Green Synthesis

Abstract Additive‐free activation of oxygen molecules under ambient conditions has been a great challenge for the green organic synthesis. To make it happen, the design of highly efficient catalyst is the key to make it happen. In this work, we report a simple method to prepare an atomic‐scale carbocatalyst via decorating sp 2 ‐carbon framework with triazine (TA−G), which can activate molecular oxygen for highly efficient organic synthesis. Both theoretical and experimental results reveal that TA−G has a Fermi level lied in the middle of the oxygen 2p antibonding orbital of the absorbed O 2 to weaken the O−O bond for room‐temperature and additive‐free activation of oxygen molecules.