Issue 43, 2011
From the journal:

Physical Chemistry Chemical Physics

Regioselectivity control of graphene functionalization by ripples†

Xingfa Gao,a   Ying Wang,b   Xin Liu,c   T.-L. Chan,d   Stephan Irle,*b   Yuliang Zhaoa  and  Shengbai B. Zhang*d  

* Corresponding authors

a Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing, China

b Institute for Advanced Research and Department of Chemistry, Nagoya University, Nagoya 464-8602, Japan
E-mail: sirle@iar.nagoya-u.ac.jp
Fax: +81-52-788-6152
Tel: +81-52-747-6397

c School of Chemistry, Dalian University of Technology, Dalian, China

d Department of Physics, Applied Physics and Astronomy, Rensselaer Polytechnic Institute, Troy, USA
E-mail: zhangs9@rpi.edu
Fax: +1-518 276-6680
Tel: +1-518 276-6127

Abstract

Ripples naturally occur in graphene sheets. First-principles calculations reveal that, by altering the pyramidalization angles of the carbon atoms, these ripples can be used to direct the chemical reactivity of graphene towards hydrogenation. A fraction of the carbon atoms of a rippled graphene, located around the crests and troughs, show significantly increased reactivity. The remaining carbon atoms have comparable reactivity to those in a flat graphene. To illustrate the increased reactivity, we show that hydrogenation becomes exothermic when the characteristic ratio between the amplitude and wavelength reaches ∼0.55. This finding offers a practical chemical venue for regioselectivity control of graphene functionalization. While the rippling does not directly affect the band gap of the graphene, the rippling-induced hydrogenation does.

Graphical abstract: Regioselectivity control of graphene functionalization by ripples

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Article information

DOI
https://doi.org/10.1039/C1CP22491C
Article type
Paper
Submitted
03 Aug 2011
Accepted
03 Sep 2011
First published
04 Oct 2011

Phys. Chem. Chem. Phys., 2011,13, 19449-19453

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Regioselectivity control of graphene functionalization by ripples

X. Gao, Y. Wang, X. Liu, T.-L. Chan, S. Irle, Y. Zhao and S. B. Zhang, Phys. Chem. Chem. Phys., 2011, 13, 19449 DOI: 10.1039/C1CP22491C

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