A multifunctional material of two-dimensional g-C4N3/graphene bilayer
文献信息
Jie Cui, Shuhua Liang, Jianmin Zhang
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-C3N4 closes 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.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














