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Issue 15, 2013
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Approaches to modelling irradiation-induced processes in transmission electron microscopy

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Abstract

The recent progress in high-resolution transmission electron microscopy (HRTEM) has given rise to the possibility of in situ observations of nanostructure transformations and chemical reactions induced by electron irradiation. In this article we briefly summarise experimental observations and discuss in detail atomistic modelling of irradiation-induced processes in HRTEM, as well as mechanisms of such processes recognised due to modelling. Accurate molecular dynamics (MD) techniques based on first principles or tight-binding models are employed in the analysis of single irradiation-induced events, and classical MD simulations are combined with a kinetic Monte Carlo algorithm to simulate continuous irradiation of nanomaterials. It has been shown that sulphur-terminated graphene nanoribbons are formed inside carbon nanotubes as a result of an irradiation-selective chemical reaction. The process of fullerene formation in HRTEM during continuous electron irradiation of a small graphene flake has been simulated, and mechanisms driving this transformation analysed.

Graphical abstract: Approaches to modelling irradiation-induced processes in transmission electron microscopy

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Publication details

The article was received on 28 Apr 2013, accepted on 04 Jun 2013 and first published on 06 Jun 2013


Article type: Feature Article
DOI: 10.1039/C3NR02130K
Citation: Nanoscale, 2013,5, 6677-6692
  • Open access: Creative Commons BY license
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    Approaches to modelling irradiation-induced processes in transmission electron microscopy

    S. T. Skowron, I. V. Lebedeva, A. M. Popov and E. Bichoutskaia, Nanoscale, 2013, 5, 6677
    DOI: 10.1039/C3NR02130K

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