Journal article

Modelling graphene quantum dot functionalization via ethylene-dinitrobenzoyl

Abstract:: Ethylene-dinitrobenzoyl (EDNB) linked to graphene oxide has been shown to improve the performance of graphene/polymer organic photovoltaics. Its binding conformation on graphene, however, is not yet clear, nor have its effects on work function and optical absorption been explored more generally for graphene quantum dots. In this report, we clarify the linkage of EDNB to GQDs from first principles and show that the binding of the molecule increases the work function of graphene, while simultaneously modifying its absorption in the ultraviolet region.

Publication status:: Published

Peer review status:: Peer reviewed

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APA Style

Noori, K., Hübener, H., Kymakis, E., & Giustino, F. (2016). Modelling graphene quantum dot functionalization via ethylene-dinitrobenzoyl. Applied Physics Letters, 108(12).

MLA Style

Noori, K., et al. “Modelling Graphene Quantum Dot Functionalization via Ethylene-Dinitrobenzoyl.” Applied Physics Letters, vol. 108, no. 12, American Institute of Physics, 2016.

Chicago Style

Noori, K, H Hübener, E Kymakis, and F Giustino. 2016. “Modelling Graphene Quantum Dot Functionalization via Ethylene-Dinitrobenzoyl.” Applied Physics Letters 108 (12).
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Files:: 1.4944906.pdf

(Preview, Version of record, pdf, 1.2MB, Terms of use)

Publisher copy:: 10.1063/1.4944906

Authors

+ Noori, K More by this author

Institution:: University of Oxford
Division:: MPLS
Department:: Materials
Role:: Author

+ Hübener, H More by this author

Institution:: University of Oxford
Division:: MPLS
Department:: Materials
Role:: Author

+ Kymakis, E More by this author

Role:: Author

+ Giustino, F More by this author

Institution:: University of Oxford
Division:: MPLS
Department:: Materials
Role:: Author

+ Leverhulme Trust More from this funder

Grant:: RL-2012-001

+ Engineering and Physical Sciences Research Council More from this funder

Grant:: EP/J009857/1

+ European Research Council More from this funder

Grant:: 239578

+ Seventh Framework Programme More from this funder

Grant:: 622934

Publisher:: American Institute of Physics
Journal:: Applied Physics Letters More from this journal
Volume:: 108
Issue:: 12
Article number:: 123902
Publication date:: 2016-03-24
Acceptance date:: 2016-03-16
DOI:: 10.1063/1.4944906
EISSN:: 1077-3118
ISSN:: 0003-6951

Pubs id:: pubs:610659
UUID:: uuid:108b98ed-4968-44e7-8528-fef3f96d697b
Local pid:: pubs:610659
Source identifiers:: 610659
Deposit date:: 2016-03-17

Terms of use

Copyright holder:: AIP Publishing
Copyright date:: 2016
Notes:: © 2016 AIP Publishing LLC

Licence:: Terms and Conditions of Use for Oxford University Research Archive

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