A Strategy of Enhancing the Photoactivity of g‑C3N4 via Doping of Nonmetal Elements: A First-Principles Study - Ma, Xinguo; Lv, Yanhui; Xu, Jing; Liu, Yanfang; Zhang, Ruiqin; Zhu, Yongfa (Journal of physical chemistry. C, 2012)
Keywords: Catalysis; Catalysts: preparations and properties; Chemistry; Exact sciences and technology; General and physical chemistry; Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry; Charge density; Impurity; Frontier orbital; Photocatalysis; Doping; Charge carrier mobility; Density functional method; Carbon nitrides; Heat of formation; Catalyst; Absorption spectrum