Ternary operation

Photocatalysis

Computer science

Catalysis

Intramolecular force

Optoelectronics

Organic chemistry

Carbon nitride

Heterojunction

Chemical physics

Homojunction

Chemistry

Materials science

Programming language

Graphitic carbon nitride

ACS Catalysis

The construction of intramolecular homojunction in the carbon nitride framework is one of the advantageous methods to improve photocatalytic performance. Based on the molecular self-assembly strategy to form the intramolecular homojunction, carbon nitride showed enhanced photocatalytic activity. However, the disordered structure of the pristine g-C3N4 obtained using the traditional approach inhibits the dissociation and migration of photocarriers. Here, we adopt a method to prepare the crystalline C3N4 (HCCN) with functional group modifications to form ternary intramolecular homojunction by multistep thermal polymerization. The band structure indicates that cyano and cyanamide-based molecular units in HCCN samples have different highest occupied molecular orbital/lowest unoccupied molecular orbital energy levels, which constitute a special ternary homojunction through the arrangement of energy levels and form an internal electron field in the molecule. The analysis of photoelectron–hole pairs and photocatalyt...

Crystalline Intramolecular Ternary Carbon Nitride Homojunction for Photocatalytic Hydrogen Evolution