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  • A comprehensive study on the vibrational response of topologically modified and functionalized graphene sheets: Numerical investigation

    Author(s)
    Yengejeh, SI
    Kazemi, SA
    Öchsner, A
    Griffith University Author(s)
    Kazemi, Seyedeh Alieh
    Oechsner, Andreas
    Year published
    2016
    Metadata
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    Abstract
    We applied the finite element method to simulate and predict the vibrational response of graphene sheets in order to obtain the eigenfrequencies and their corresponding eigenmodes under different boundary conditions. Furthermore, various types of topological defects (i.e., carbon vacancies, Stone-Wales defect, and perturbation) and functionalization modifications (i.e., chemical doping) are introduced to the structure of the model in order to realistically predict the vibrational behavior of those nanoparticles in a closer form to those found in reality. Computational results indicate that both topological and chemical ...
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    We applied the finite element method to simulate and predict the vibrational response of graphene sheets in order to obtain the eigenfrequencies and their corresponding eigenmodes under different boundary conditions. Furthermore, various types of topological defects (i.e., carbon vacancies, Stone-Wales defect, and perturbation) and functionalization modifications (i.e., chemical doping) are introduced to the structure of the model in order to realistically predict the vibrational behavior of those nanoparticles in a closer form to those found in reality. Computational results indicate that both topological and chemical imperfections result in significant changes in the vibrational response of the nanosheet and considerable reduction in the natural frequencies of the model and as a consequence, reducing the vibrational stability of these nanostructures.
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    Journal Title
    Journal of Computational and Theoretical Nanoscience
    Volume
    13
    Issue
    12
    DOI
    https://doi.org/10.1166/jctn.2016.6308
    Subject
    Atomic, molecular and optical physics
    Mechanical engineering
    Nanotechnology
    Publication URI
    http://hdl.handle.net/10072/405582
    Collection
    • Journal articles

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