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Correction: Atomistic QM/MM simulations of the strength of covalent interfaces in carbon nanotube–polymer composites

Jacek R. Gołębiowski ab, James R. Kermode c, Peter D. Haynes abd and Arash A. Mostofi *abd
aDepartment of Materials, Imperial College London, London SW7 2AZ, UK. E-mail: a.mostofi@imperial.ac.uk
bThomas Young Centre for Theory and Simulation of Materials, Imperial College London, London SW7 2AZ, UK
cWarwick Centre for Predictive Modelling, School of Engineering, University of Warwick, Coventry, CV4 7AL, UK
dDepartment of Physics, Imperial College London, London SW7 2AZ, UK

Received 11th June 2020 , Accepted 11th June 2020

First published on 19th June 2020


Correction for ‘Atomistic QM/MM simulations of the strength of covalent interfaces in carbon nanotube–polymer composites’ by Jacek R. Gołębiowski et al., Phys. Chem. Chem. Phys., 2020, 22, 12007–12014, DOI: 10.1039/d0cp01841d.


The authors would like to correct a referencing error in the published article and fix a measurement value that was incorrectly copied from the reference.

The changes are in the last paragraph of section 3 on page 12012. The original text reads as follows:

“The experiments of Barber et al.16 demonstrate that the pull-out force is proportional to the embedded surface area of the CNT and recorded the ISS (maximum pullout force over CNT area) of around 50 MPa. For comparison, our simulations give a value of around 1000 MPa, i.e., a factor of 20 larger.”

This should be changed to the following text, where the new reference is added here as ref. 1:

“Earlier experiments by Barber et al.1 demonstrate that the pullout force is proportional to the embedded surface area of the CNT. For carboxyl-functionalised CNTs the maximum ISS is measured to be around 150 MPa.16 For comparison, our simulations give a value of around 1000 MPa, i.e., an order of magnitude larger.”

The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.

References

  1. A. H. Barber, S. R. Cohen and H. D. Wagner, Appl. Phys. Lett., 2003, 82, 4140 CrossRef CAS.

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