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- W2028102423 abstract "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." @default.
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- W2028102423 date "2009-10-26" @default.
- W2028102423 modified "2023-10-16" @default.
- W2028102423 title "Electronegativity equalization model for interface barrier formation at reactive metal/organic contacts" @default.
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- W2028102423 doi "https://doi.org/10.1063/1.3253709" @default.
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