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Title: Electronic and structural properties at the interface between CuPc and graphene

The electronic and structural properties at Copper phthalocyanine (CuPc)/graphene have been studied using ultraviolet photoemission spectroscopy and first-principles density function theory calculation. The five emission features α, β, γ, δ, and ε originating from the CuPc molecules locate at 1.48, 3.66, 4.98, 6.90, and 9.04 eV, respectively. These features shift in binding energy with the increasing CuPc coverage. The feature α is mostly deriving from Cu 3d orbital with some contributions from C 2p orbital. Further theoretical calculation indicates that the adsorption of CuPc on a top site is the most favorable configuration, and the separation between the adsorbate and graphene is about 3.47 Å. According to the density of states before and after CuPc adsorption, the LUMO of CuPc is slightly occupied, while the Dirac point of graphene slightly shift towards higher energy, suggesting that a small amount of electron transfer from graphene to CuPc upon contact.
Authors:
 [1] ;  [2] ;  [3] ;  [1] ;  [2]
  1. Department of Physics, Zhejiang University, Hangzhou 310027 (China)
  2. (China)
  3. Department of Physics, Hangzhou Normal University, Hangzhou 310036 (China)
Publication Date:
OSTI Identifier:
22399198
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 117; Journal Issue: 1; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; ADSORPTION; BINDING ENERGY; COPPER COMPLEXES; COPPER COMPOUNDS; DENSITY OF STATES; ELECTRON TRANSFER; ELECTRONIC STRUCTURE; EV RANGE; GRAPHENE; INTERFACES; MOLECULES; PHOTOELECTRON SPECTROSCOPY; PHOTON EMISSION; PHTHALOCYANINES; ULTRAVIOLET RADIATION