Journal
SOLID STATE COMMUNICATIONS
Volume 177, Issue -, Pages 98-102Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.ssc.2013.10.004
Keywords
Graphene; Mechanical properties; Molecular dynamics simulation
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Molecular dynamics simulations have been performed to study the mechanical properties of hydrogen functionalized graphene under shear deformation. It is found that the mechanical properties of graphene greatly depend on the coverage percent of hydrogen atoms. It is shown that the shear modulus, shear strength and fracture strain of graphene can be reduced as much as 50% with increasing hydrogen coverage percent up to 30%. It is also revealed that the distribution of hydrogen atoms would significantly influence on the strength and fracture strain of hydrogen functionalized graphene under shear deformation. (C) 2013 Elsevier Ltd. All rights reserved.
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