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Sci Rep. 2016 Sep 26;6:33810. doi: 10.1038/srep33810.

Anomalous Enhancement of Mechanical Properties in the Ammonia Adsorbed Defective Graphene.

Scientific reports

Fengxian Ma, Yalong Jiao, Yuantong Gu, Ante Bilic, Ying Chen, Zhongfang Chen, Aijun Du

Affiliations

  1. School of Chemistry, Physics and Mechanical Engineering, Queensland University of Technology, Gardens Point Campus, QLD 4001, Brisbane, Australia.
  2. CSIRO Data61, Molecular and Materials Modelling, Docklands 3008 VIC, Australia.
  3. Institute for Frontier Materials, Deakin University, Waurn Ponds, VIC 3216, Australia.
  4. Department of Chemistry, Institute for Functional Nanomaterials, University of Puerto Rico, San Juan, Puerto Rico 00931, United States.

PMID: 27667709 PMCID: PMC5036057 DOI: 10.1038/srep33810

Abstract

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 (H

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