ArticleJournal of molecular modeling2023
Nanoresonator vibrational behaviour analysis of single- and double-layer graphene with atomic vacancy and pinhole defects.
Article in Journal of molecular modeling, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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3 citing papers in PubMed.
- FEM simulation of SARS-CoV-2 sensing in single-layer graphene-based bionanosensors.Journal of molecular modeling · 2024Article
- Bionanosensor utilizing single-layer graphene for the detection of iridovirus.Journal of molecular modeling · 2024Article
- Identification of microbes using single-layer graphene-based nano biosensors.Journal of molecular modeling · 2023Article
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Authors and funding
2 authors.
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Abstract
contextNanosensors and actuators are frequently made of graphene. Any defect in the graphene's manufacturing has an impact on its sensing performance and on its dynamic behaviour. Using a molecular dynamics technique, the influence of pinhole defects and atomic defects on the performance parameters of single-layer graphene sheets (SLGSs) and double-layer graphene sheets (DLGSs) with various boundary conditions and lengths is explored. In contrast to the perfect nanostructure of a graphene sheet, defects are described as holes formed by atomic vacancies. As the number of defects increases, the simulation results show that the presence of defects has the greatest impact on the resonance frequency of SLGSs and DLGSs. The influence of pinhole defect (PD) and atomic vacancy defect (AVD) on armchair, zigzag, and chiral SLGSs and DLGSs was investigated in this article using molecular dynamics simulation. The influence of both types of defects is largest when it is adjacent to the fixed support for all three different types of graphene sheets, i.e. armchair, zigzag, and chiral.
methodsThe structure of the graphene sheet has been created using ANSYS APDL software. In the structure of the graphene sheet, atomic and pinhole defects have been generated. SLG and DLG sheets are modelled using a space frame structure that is identical to a three-dimensional beam. Dynamic analysis of single-layer and double-layer graphene sheets performed with different lengths using the atomistic finite element method. The interlayer separation in the form of Van der Waals interaction is modelled using characteristic spring element (Combin14). The upper and lower sheets of DLGSs are described as elastic beams connected by a spring element. With atomic vacancy defect for the bridged boundary condition, the highest frequency of 2.86 × 10
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