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Park, Noejung
Computational Physics & Electronic Structure Lab
Research Interests
  • Electronic structure calculation, computational physics, computational material science

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Effect of charge-transfer complex on the energy level alignment between graphene and organic molecules

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Title
Effect of charge-transfer complex on the energy level alignment between graphene and organic molecules
Author
Bae, GiyeolJung, HyunPark, NoejungPark, JinwooHong, SuklyunPark, Wanjun
Keywords
Carbon surface; Charge transfer complex; Density-functional theory calculations; Electron transfer; Electron-accepting; Energy level alignment; Hole transports; Metal surfaces; Molecular species; Organic molecules
Issue Date
201204
Publisher
AMER INST PHYSICS
Citation
APPLIED PHYSICS LETTERS, v.100, no.18, pp. -
Abstract
We performed density-functional theory calculations to study the electronic structures at the interfaces between graphene and organic molecules that have been used in organic light-emitting diodes. In terms of work function, graphene itself is not favorable as either anode or cathode for commonly used electron or hole transport molecular species. However, the formation of charge transfer complex on the chemically inert sp(2) carbon surface can provide a particular advantage. Unlike metal surfaces, the graphene surface remains non-bonded to electron-accepting molecules even after electron transfer, inducing an improved Fermi-level alignment with the highest-occupied-molecular-orbital level of the hole-injecting-layer molecules.
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DOI
http://dx.doi.org/10.1063/1.4709428
ISSN
0003-6951
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SNS_Journal Papers
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