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Electronegativity equalization model for interface barrier formation at reactive metal/organic contacts

Appl. Phys. Lett. 95, 173303 (2009); doi:10.1063/1.3253709

Published 29 October 2009

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J. X. Tang,1,2 Y. Q. Li,1,2 S. D. Wang,1 C. S. Lee,2 and S. T. Lee2
1Functional Nano and Soft Materials Laboratory (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Soochow University, Suzhou 215123, People's Republic of China
2Department of Physics and Materials Science and Center of Super-Diamond and Advanced Films (COSDAF), City University of Hong Kong, Hong Kong SAR, China

A general model based on electronegativity equalization method (EEM) is proposed for a quantitative formulation of barrier formation at reactive metal/organic interfaces. The present model predicts for molecular bonding formation a linear dependence of barrier heights on the degree of partial charge transfer, which is determined by the electronegativity difference between metals and molecules. Also, the calculated barrier heights show good agreement with the empirical values. It suggests that the EEM-based electronegativity model has captured the essence of barrier formation at reactive metal/organic interfaces, and that electronegativity is a fundamental factor in characterizing the chemical trend of barrier heights. ©2009 American Institute of Physics
History: Received 1 September 2009; accepted 25 September 2009; published 29 October 2009
Permalink: http://link.aip.org/link/?APPLAB/95/173303/1
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KEYWORDS and PACS

Keywords
PACS
  • 73.40.Ns
    Electrical properties of metal-nonmetal contacts
  • 71.20.Rv
    Electronic structure of polymers and organic compounds
  • 62.20.Qp
    Friction, tribology and hardness
  • 68.35.Gy
    Mechanical properties and surface strains of solid surfaces and interfaces
  • 81.40.Np
    Fatigue, embrittlement, fracture and failure
  • YEAR: 2009

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PUBLICATION DATA

ISSN:
0003-6951 (print)   1077-3118 (online)
Publisher:
AIP is a member of CrossRef AIP

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