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Anomalous Enhancement of Mechanical Properties in the Ammonia Adsorbed Defective Graphene

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journal contribution
posted on 26.09.2016, 00:00 authored by F Ma, Y Jiao, Y Gu, A Bilic, Ying (Ian) ChenYing (Ian) Chen, Z Chen, A Du
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 NH 3, 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.

History

Journal

Scientific Reports

Volume

6

eISSN

2045-2322

Publication classification

C1 Refereed article in a scholarly journal

Copyright notice

2016, The Authors