Anomalous enhancement of mechanical properties in the ammonia adsorbed defective graphene

Ma, Fengxian, Jiao, Yalong, Gu, Yuantong, Bilic, Ante, Chen, Ying, Chen, Zhongfang, & Du, Aijun (2016) Anomalous enhancement of mechanical properties in the ammonia adsorbed defective graphene. Scientific Reports, 6, Article number: 33810.

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Pure graphene is known as the strongest material ever discovered. However, the unavoidable defect formation in the fabrication process renders the strength of defective graphene much lower (~14%) than that of its perfect counterpart. By means of density functional theory computations, we systematically explored the effect of gas molecules (H2, N2, NH3, CO, CO2 and O2) adsorption on the mechanical strength of perfect/defective graphene. The NH3 molecule is found to play a dominant role in enhancing the strength of defective graphene by up to ~15.6%, while other gas molecules decrease the strength of graphene with varying degrees. The remarkable strength enhancement can be interpreted by the decomposition of NH3, which saturates the dangling bond and leads to charge redistribution at the defect site. The present work provides basic information for the mechanical failure of gas-adsorbed graphene and guidance for manufacturing graphene-based electromechanical devices.

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ID Code: 99599
Item Type: Journal Article
Refereed: Yes
DOI: 10.1038/srep33810
ISSN: 2045-2322
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2016 The Author(s)
Copyright Statement: This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit
Deposited On: 27 Sep 2016 22:37
Last Modified: 28 Sep 2016 22:51

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