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The effects of encapsulation on damage to molecules by electron radiation

Skowron, Stephen T.; Roberts, Sarah L.; Khlobystov, Andrei N.; Besley, Elena


Sarah L. Roberts

Professor of Theoretical Computational Chemistry


Encapsulation of materials imaged by high resolution transmission electron microscopy presents a promising route to the reduction of sample degradation, both independently and in combination with other traditional solutions to controlling radiation damage. In bulk crystals, the main effect of encapsulation (or coating) is the elimination of diffusion routes of beam-induced radical species, enhancing recombination rates and acting to limit overall damage. Moving from bulk to low dimensional materials has significant effects on the nature of damage under the electron beam. We consider the major changes in mechanisms of damage of low dimensional materials by separating the effects of dimensional reduction from the effects of encapsulation. An effect of confinement is discussed using a model example of coronene molecules encapsulated inside single walled carbon nanotubes as determined from molecular dynamics simulations calculating the threshold energy required for hydrogen atom dissociation. The same model system is used to estimate the rate at which the nanotube can dissipate excess thermal energy above room temperature by acting as a thermal sink.

Journal Article Type Article
Publication Date May 31, 2019
Journal Micron
Print ISSN 0968-4328
Publisher Elsevier
Peer Reviewed Peer Reviewed
Volume 120
Pages 96-103
APA6 Citation Skowron, S. T., Roberts, S. L., Khlobystov, A. N., & Besley, E. (2019). The effects of encapsulation on damage to molecules by electron radiation. Micron, 120, 96-103.
Keywords Cell Biology; Structural Biology
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