Effect of straining graphene on nanopore creation using Si cluster bombardment

A reactive atomistic investigation

Golibjon Berdiyorov, B. Mortazavi, Said Ahzi, F. M. Peeters, Marwan Khraisheh

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

Graphene nanosheets have recently received a revival of interest as a new class of ultrathin, high-flux, and energy-efficient sieving membranes because of their unique two-dimensional and atomically thin structure, good flexibility, and outstanding mechanical properties. However, for practical applications of graphene for advanced water purification and desalination technologies, the creation of well controlled, high-density, and subnanometer diameter pores becomes a key factor. Here, we conduct reactive force-field molecular dynamics simulations to study the effect of external strain on nanopore creation in the suspended graphene by bombardment with Si clusters. Depending on the size and energy of the clusters, different kinds of topography were observed in the graphene sheet. In all the considered conditions, tensile strain results in the creation of nanopores with regular shape and smooth edges. On the contrary, compressive strain increases the elastic response of graphene to irradiation that leads to the formation of net-like defective structures with predominantly carbon atom chains. Our findings show the possibility of creating controlled nanopores in strained graphene by bombardment with Si clusters.

Original languageEnglish
Article number225108
JournalJournal of Applied Physics
Volume120
Issue number22
DOIs
Publication statusPublished - 14 Dec 2016

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bombardment
graphene
water treatment
field theory (physics)
flexibility
topography
mechanical properties
molecular dynamics
membranes
porosity
irradiation
energy
carbon
atoms
simulation

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Effect of straining graphene on nanopore creation using Si cluster bombardment : A reactive atomistic investigation. / Berdiyorov, Golibjon; Mortazavi, B.; Ahzi, Said; Peeters, F. M.; Khraisheh, Marwan.

In: Journal of Applied Physics, Vol. 120, No. 22, 225108, 14.12.2016.

Research output: Contribution to journalArticle

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