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- W2385955507 abstract "Based on ab initio method and density function theory(DFT),the interaction energy of metal electrode and molecule was investigated by taking the benzene-1,4-dithiol molecule as an example.Numerical results showed that the distance between electrodes is a main factor to the coupling.The interaction energy can be altered when the distance between two electrodes is changed.Furthermore,the positive and negative values of interaction energy are discussed.In this molecular junction,the molecule combined with the electrode couple most stably at 0.24." @default.
- W2385955507 created "2016-06-24" @default.
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- W2385955507 date "2008-01-01" @default.
- W2385955507 modified "2023-10-16" @default.
- W2385955507 title "Study on interaction energy between benzene-1,4-dithioland golden electrode in the metal-molecule-metal junction" @default.
- W2385955507 hasPublicationYear "2008" @default.
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