Origin of charge transfer complex resulting in Ohmic contact at the C60/Cu interface

S. W. Cho; Y. Yi; J. H. Seo; C. Y. Kim; M. Noh; K. H. Yoo; K. Jeong; C. N. Whang

doi:10.1016/j.synthmet.2007.01.006

Origin of charge transfer complex resulting in Ohmic contact at the C₆₀/Cu interface

S. W. Cho, Y. Yi, J. H. Seo, C. Y. Kim, M. Noh, K. H. Yoo, K. Jeong, C. N. Whang

Research output: Contribution to journal › Article › peer-review

11 Citations (Scopus)

Abstract

The conducting charge transfer complex formed on the C₆₀/Cu interface after heat treatment was investigated by using density functional theory. We optimized the geometries of the C₆₀ and C₆₀-Cu complexes. Then, a comparison of the valence band spectrum with the simulated density of states revealed detailed molecular properties. We confirm that the C₆₀-Cu complex layer formed at the C₆₀/Cu interface enhances charge transfer. The conducting complex creates both an occupied gap state and unoccupied states between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of C₆₀. These states lead to the formation of Ohmic contact between the C₆₀ layer and the Cu layer.

Original language	English
Pages (from-to)	160-164
Number of pages	5
Journal	Synthetic Metals
Volume	157
Issue number	2-3
DOIs	https://doi.org/10.1016/j.synthmet.2007.01.006
Publication status	Published - 2007 Feb 15

Bibliographical note

Funding Information:
This work is supported by BK21 project of the Korea Research Foundation (KRF), the Korea Research Foundation Grant funded by the Korean Government (MOEHRD) (KRF-2005-015-C00130), and the KOSEF through National Core Research Center for Nanomedical Technology.

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

Access to Document

10.1016/j.synthmet.2007.01.006

Cite this

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title = "Origin of charge transfer complex resulting in Ohmic contact at the C60/Cu interface",

abstract = "The conducting charge transfer complex formed on the C60/Cu interface after heat treatment was investigated by using density functional theory. We optimized the geometries of the C60 and C60-Cu complexes. Then, a comparison of the valence band spectrum with the simulated density of states revealed detailed molecular properties. We confirm that the C60-Cu complex layer formed at the C60/Cu interface enhances charge transfer. The conducting complex creates both an occupied gap state and unoccupied states between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of C60. These states lead to the formation of Ohmic contact between the C60 layer and the Cu layer.",

author = "Cho, {S. W.} and Y. Yi and Seo, {J. H.} and Kim, {C. Y.} and M. Noh and Yoo, {K. H.} and K. Jeong and Whang, {C. N.}",

note = "Funding Information: This work is supported by BK21 project of the Korea Research Foundation (KRF), the Korea Research Foundation Grant funded by the Korean Government (MOEHRD) (KRF-2005-015-C00130), and the KOSEF through National Core Research Center for Nanomedical Technology.",

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T1 - Origin of charge transfer complex resulting in Ohmic contact at the C60/Cu interface

AU - Cho, S. W.

AU - Yi, Y.

AU - Seo, J. H.

AU - Kim, C. Y.

AU - Noh, M.

AU - Yoo, K. H.

AU - Jeong, K.

AU - Whang, C. N.

N1 - Funding Information: This work is supported by BK21 project of the Korea Research Foundation (KRF), the Korea Research Foundation Grant funded by the Korean Government (MOEHRD) (KRF-2005-015-C00130), and the KOSEF through National Core Research Center for Nanomedical Technology.

PY - 2007/2/15

Y1 - 2007/2/15

N2 - The conducting charge transfer complex formed on the C60/Cu interface after heat treatment was investigated by using density functional theory. We optimized the geometries of the C60 and C60-Cu complexes. Then, a comparison of the valence band spectrum with the simulated density of states revealed detailed molecular properties. We confirm that the C60-Cu complex layer formed at the C60/Cu interface enhances charge transfer. The conducting complex creates both an occupied gap state and unoccupied states between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of C60. These states lead to the formation of Ohmic contact between the C60 layer and the Cu layer.

AB - The conducting charge transfer complex formed on the C60/Cu interface after heat treatment was investigated by using density functional theory. We optimized the geometries of the C60 and C60-Cu complexes. Then, a comparison of the valence band spectrum with the simulated density of states revealed detailed molecular properties. We confirm that the C60-Cu complex layer formed at the C60/Cu interface enhances charge transfer. The conducting complex creates both an occupied gap state and unoccupied states between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of C60. These states lead to the formation of Ohmic contact between the C60 layer and the Cu layer.

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