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• W2037742020 abstract "The electronic properties of the uracil-covered Si(001) surface have been studied by density-functional calculations. Dative-bonded configurations are characterized by a high density of surface states in the energy region of the fundamental gap, whereas the surface is perfectly passivated when covalent bonds form between the molecule and the substrate. A remarkable influence of the adsorption configuration on the ionization energy is predicted. The results show that semiconductor surface electronic properties can be tuned within a very wide range by organic functionalization even with only one molecular species." @default.
• W2037742020 created "2016-06-24" @default.
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• W2037742020 date "2004-06-18" @default.
• W2037742020 modified "2023-09-25" @default.
• W2037742020 title "Organic modification of surface electronic properties: A first-principles study of uracil on Si(001)" @default.
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• W2037742020 doi "https://doi.org/10.1103/physrevb.69.245309" @default.
• W2037742020 hasPublicationYear "2004" @default.
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