journal article·2015-09-09

Enhancement of the Stability of Fluorine Atoms on Defective Graphene and at Graphene/Fluorographene Interface

Zhimin Ao, Quanguo Jiang, Shuang Li, Hao Liu, Francois M. Peeters, Sean Li, Guoxiu Wang

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Abstract

Fluorinated graphene is one of the most important derivatives of graphene and has been found to have great potential in optoelectronic and photonic nanodevices. However, the stability of F atoms on fluorinated graphene under different conditions, which is essential to maintain the desired properties of fluorinated graphene, is still unclear. In this work, we investigate the diffusion of F atoms on pristine graphene, graphene with defects, and at graphene/fluorographene interfaces by using density functional theory calculations. We find that an isolated F atom diffuses easily on graphene, but those F atoms can be localized by inducing vacancies or absorbates in graphene and by creating graphene/fluorographene interfaces, which would strengthen the binding energy of F atoms on graphene and increase the diffusion energy barrier of F atoms remarkably.
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Research context

OpenAlex topics: Graphene research and applications · Graphene and Nanomaterials Applications · Plasma Diagnostics and Applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Centre for Clean Energy Technology, School of Mathematical and Physical Sciences, University of Technology Sydney, P.O. Box 123, Broadway, Sydney, New South Wales 2007, Australia

College of Mechanics and Materials, Hohai University, Nanjing 210098, China

Nano Structural Materials Center, Nanjing University of Science and Technology, Nanjing 210094, Jiangsu P.R. China

Department of Physics, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerpen, Belgium

School of Materials Science and Engineering, The University of New South Wales, Sydney, New South Wales 2052, Australia

Funding

Fonds Wetenschappelijk Onderzoek · Vlaamse Overheid · University of Technology Sydney

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