Novel graphitic carbon nitride g-C<sub>9</sub>N<sub>10</sub> as a promising platform to design efficient photocatalysts for dinitrogen reduction to ammonia: the first-principles investigation
Lixue Xia, Huan Wang, Yan Zhao
Abstract
Based on the self-doping strategy, a new graphitic carbon nitride (g-C 9 N 10 ) is theoretically designed as a promising platform for photocatalysis. Boron-doped g-C 9 N 10 (B@g-C 9 N 10 ) is then theoretically proved as an excellent photocatalyst for NRR.
Topics & Concepts
Graphitic carbon nitridePhotocatalysisBoron nitrideMaterials scienceAmmoniaCarbon nitrideNitrideCarbon fibersDopingNanotechnologyBoronChemical engineeringInorganic chemistryOptoelectronicsChemistryCatalysisComposite numberEngineeringOrganic chemistryComposite materialLayer (electronics)Advanced Photocatalysis TechniquesAmmonia Synthesis and Nitrogen ReductionMXene and MAX Phase Materials