Structural Lithium Incorporated with the Crystalline Poly(Triazine Imide) Frameworks for Selective Catalytic Oxidative Desulfurization

Abstract Carbon nitride (CN) materials have been employed as catalysts in many scientific fields. Moreover, highly crystalline CN as an ideal model material for key problems in catalytic reaction research has received a lot of attention. Herein, the Li + incorporated highly crystalline poly(triazine imide) (PTI–Li + ) with a well‐defined structure is successfully fabricated through the ionothermal method. The atomically dispersed Li in the PTI–Li + serve as the active sites in the selective catalytic oxidation of H 2 S, and the interaction between Li ions and PTI–Li + framework extends electron delocalization and modulate electronic band structure resulting in improved O 2 and H 2 S adsorption and activation ability. Consequently, PTI–Li + shows excellent selective catalytic desulfurization activity and durability. This work not only designs an efficient desulfurization catalyst but also demonstrates the role of these atomically dispersed Li ions in PTI–Li + during the catalytic reaction, enlightening the deeper understanding and wider application of carbon nitride materials.