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https://hdl.handle.net/2440/89512
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Type: | Journal article |
Title: | Hybrid graphene and graphitic carbon nitride nanocomposite: gap opening, electron-hole puddle, interfacial charge transfer, and enhanced visible light response |
Author: | Du, A. Sanvito, S. Li, Z. Wang, D. Jiao, Y. Liao, T. Sun, Q. Ng, Y. Zhu, Z. Amal, R. Smith, S. |
Citation: | Journal of the American Chemical Society, 2012; 134(9):4393-4397 |
Publisher: | American Chemical Society |
Issue Date: | 2012 |
ISSN: | 0002-7863 1520-5126 |
Statement of Responsibility: | Aijun Du, Stefano Sanvito, Zhen Li, Dawei Wang, Yan Jiao, Ting Liao, Qiao Sun, Yun Hau Ng, Zhonghua Zhu, Rose Amal, and Sean C. Smith |
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-C(3)N(4)) and electronically active graphene. We find an inhomogeneous planar substrate (g-C(3)N(4)) 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-C(3)N(4) substrate, which alters the electronic properties of both components. In particular, the strong electronic coupling at the graphene/g-C(3)N(4) interface opens a 70 meV gap in g-C(3)N(4)-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-C(3)N(4) is free of dangling bonds, providing an ideal substrate for graphene to sit on. Furthermore, when compared to a pure g-C(3)N(4) monolayer, the hybrid graphene/g-C(3)N(4) complex displays an enhanced optical absorption in the visible region, a promising feature for novel photovoltaic and photocatalytic applications. |
Keywords: | Graphite Nitriles Electrons Light Nanocomposites |
Rights: | © 2012 American Chemical Society |
DOI: | 10.1021/ja211637p |
Grant ID: | http://purl.org/au-research/grants/arc/LE0882357 http://purl.org/au-research/grants/arc/DP110101239 |
Published version: | http://dx.doi.org/10.1021/ja211637p |
Appears in Collections: | Aurora harvest 2 Chemical Engineering publications |
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