title: A multifunctional material of two-dimensional g-C4N3/graphene bilayer.
abstract: Using first-principles calculations, we present a multifunctional material of g-C4N3/graphene bilayer with great potentials in the field of spintronics and photocatalysis. In g-C4N3/graphene bilayer, N atoms create localized spin polarization and p-doped graphene shows high charge carrier density, which makes this nanocomposite a perfect candidate for spintronic applications. Meanwhile, the charge redistribution occurred between the two layers also facilitates the separation of photogenerated electron-hole pairs. Moreover, the inclusion of C atoms into g-C3N4closes the band gap of g-C3N4/graphene completely and induces more levels near the Fermi energy, and thus the g-C4N3/graphene bilayer displays enhanced visible light absorption compared to the g-C3N4/graphene bilayer.
authors.affiliation: Shaanxi Province Key Laboratory for Electrical Materials and Infiltration Technology, Xi'an University of Technology, Xi'an 710048, P. R. China. liangsh@xaut.edu.cn.
authors.forename: Jie
authors.initials: J
authors.lastname: Cui
authors.affiliation: Shaanxi Province Key Laboratory for Electrical Materials and Infiltration Technology, Xi'an University of Technology, Xi'an 710048, P. R. China. liangsh@xaut.edu.cn.
authors.forename: Shuhua
authors.initials: S
authors.lastname: Liang
authors.affiliation: College of Physics and Information Technology, Shaanxi Normal University, Xi'an 710062, P. R. China.
authors.forename: Jianmin
authors.initials: J
authors.lastname: Zhang