Hybrid Graphene and Graphitic Carbon Nitride Nanocomposite: Gap Opening, Electron–Hole Puddle, Interfacial Charge Transfer, and Enhanced Visible Light Response
Top Cited Papers
- 27 February 2012
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 134 (9), 4393-4397
- https://doi.org/10.1021/ja211637p
Abstract
Opening up a band gap and finding a suitable substrate material are two big challenges for building graphene-based nanodevices. Using state-of-the-art hybrid density functional theory incorporating long-range dispersion corrections, we investigate the interface between optically active graphitic carbon nitride (g-C3N4) and electronically active graphene. We find an inhomogeneous planar substrate (g-C3N4) promotes electron-rich and hole-rich regions, i.e., forming a well-defined electron–hole puddle, on the supported graphene layer. The composite displays significant charge transfer from graphene to the g-C3N4 substrate, which alters the electronic properties of both components. In particular, the strong electronic coupling at the graphene/g-C3N4 interface opens a 70 meV gap in g-C3N4-supported graphene, a feature that can potentially allow overcoming the graphene’s band gap hurdle in constructing field effect transistors. Additionally, the 2-D planar structure of g-C3N4 is free of dangling bonds, providing an ideal substrate for graphene to sit on. Furthermore, when compared to a pure g-C3N4 monolayer, the hybrid graphene/g-C3N4 complex displays an enhanced optical absorption in the visible region, a promising feature for novel photovoltaic and photocatalytic applications.Keywords
This publication has 42 references indexed in Scilit:
- High-speed graphene transistors with a self-aligned nanowire gateNature, 2010
- Graphene photonics and optoelectronicsNature Photonics, 2010
- Bandgap opening in graphene induced by patterned hydrogen adsorptionNature Materials, 2010
- Gate-Variable Optical Transitions in GrapheneScience, 2008
- Substrate-induced bandgap opening in epitaxial grapheneNature Materials, 2007
- Quantum information on chicken wireNature Physics, 2007
- The rise of grapheneNature Materials, 2007
- From ultrasoft pseudopotentials to the projector augmented-wave methodPhysical Review B, 1999
- Projector augmented-wave methodPhysical Review B, 1994
- Special points for Brillouin-zone integrationsPhysical Review B, 1976