Open Access Article
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Correction: A computational exploration of the crystal energy and charge-carrier mobility landscapes of the chiral [6]helicene molecule
Beth
Rice
ab,
Luc M.
LeBlanc
c,
Alberto
Otero-de-la-Roza
d,
Matthew J.
Fuchter
be,
Erin R.
Johnson
c,
Jenny
Nelson
ab and
Kim E.
Jelfs
*be
aDepartment of Physics, Imperial College London, South Kensington, London, SW7 2AZ, UK
bCentre for Plastic Electronics, Imperial College London, South Kensington, London, SW7 2AZ, UK. E-mail: k.jelfs@imperial.ac.uk
cDepartment of Chemistry, Dalhousie University, Halifax, Nova Scotia, B3H 4R2, Canada
dDepartment of Chemistry, University of British Columbia, Okanagan, 3247 University Way, Kelowna, British Columbia V1V 1V7, Canada
eDepartment of Chemistry, Imperial College London, South Kensington, London, SW7 2AZ, UK
First published on 3rd May 2018
Abstract
Correction for ‘A computational exploration of the crystal energy and charge-carrier mobility landscapes of the chiral [6]helicene molecule’ by Beth Rice et al., Nanoscale, 2018, 10, 1865–1876.
The total reorganization energy used in the calculation of the charge mobilities was incorrectly stated in the original paper, as it should have been reported as 0.3 eV rather than 0.46 eV. This total reorganisation energy consists of an inner reorganization energy of 0.16 eV and an outer reorganization energy of 0.14 eV.
Our conclusions remain unchanged, particularly as we were comparing our results to previously reported values for calculated charge mobilities that used total reorganization energies in the range of 0.2–0.5 eV, and the corrected value of 0.3 eV for our work remains within that range.
The locations of the incorrectly stated reorganization energies are:
- In the abstract, where it should read as “assuming a reorganization energy of 0.3 eV”.
- On pages 1867 and 1870, the total reorganization energy should be stated as 0.3 eV instead of 0.46 eV.
- In the ESI, we said that the outer reorganization energy was approximated as 0.3 eV. This should instead be 0.14 eV, in order to give a total reorganization energy of 0.3 eV.
The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.
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