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Issue 30, 2012
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The positive influence of boron-doped graphene with pyridine as a probe molecule on SERS: a density functional theory study

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Abstract

The influence of defects (such as vacancy and substitution atom) on SERS of graphene has been investigated systematically. It is found that B-substituted graphene has a positive effect on SERS with an enhancement factor of 103 to 104 and a frequency shift of approximately 30 cm−1, resulting from the electronic attraction between the positive charged substrate and the negative charged probe molecule, which forms a chemisorption interaction at the interface. The doped B atom could introduce some new excited states to the complex for charge transfer, and this is confirmed by the UV-Visible absorption spectra and charge difference densities.

Graphical abstract: The positive influence of boron-doped graphene with pyridine as a probe molecule on SERS: a density functional theory study

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Publication details

The article was received on 02 Apr 2012, accepted on 30 May 2012 and first published on 30 May 2012


Article type: Paper
DOI: 10.1039/C2JM32050A
J. Mater. Chem., 2012,22, 15336-15341

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    The positive influence of boron-doped graphene with pyridine as a probe molecule on SERS: a density functional theory study

    X. Kong and Q. Chen, J. Mater. Chem., 2012, 22, 15336
    DOI: 10.1039/C2JM32050A

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