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

Abstract

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];  [1]
  1. Department of Physics, Zhejiang University, Hangzhou 310027 (China)
  2. Department of Physics, Hangzhou Normal University, Hangzhou 310036 (China)
Publication Date:
OSTI Identifier:
22399198
Resource Type:
Journal Article
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 117; Journal Issue: 1; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-8979
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

Citation Formats

Tao, Yongsheng, College of Modern Science and Technology, China Jiliang University, Hangzhou 310018, Mao, Hongying, He, Pimo, and Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093. Electronic and structural properties at the interface between CuPc and graphene. United States: N. p., 2015. Web. doi:10.1063/1.4904087.
Tao, Yongsheng, College of Modern Science and Technology, China Jiliang University, Hangzhou 310018, Mao, Hongying, He, Pimo, & Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093. Electronic and structural properties at the interface between CuPc and graphene. United States. doi:10.1063/1.4904087.
Tao, Yongsheng, College of Modern Science and Technology, China Jiliang University, Hangzhou 310018, Mao, Hongying, He, Pimo, and Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093. Wed . "Electronic and structural properties at the interface between CuPc and graphene". United States. doi:10.1063/1.4904087.
@article{osti_22399198,
title = {Electronic and structural properties at the interface between CuPc and graphene},
author = {Tao, Yongsheng and College of Modern Science and Technology, China Jiliang University, Hangzhou 310018 and Mao, Hongying and He, Pimo and Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093},
abstractNote = {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.},
doi = {10.1063/1.4904087},
journal = {Journal of Applied Physics},
issn = {0021-8979},
number = 1,
volume = 117,
place = {United States},
year = {2015},
month = {1}
}