Molecular electronics: Quo vadis?

作者: Simon Liebing

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摘要: In order to use molecules in electronics it is not only important to understand the properties of molecules themselves but also properties of metal-molecule interfaces. Recent contributions discussed the behavior of thiole [1] and amino linker groups [2]. To get a more systematic understanding the authors have chosen antraquinone [3] as a model system of with variable linker groups between gold electrodes. Such groups can be thiole, amino, thiophen, nitrile, pyrol and cyanide. This allows for example to study the differences between σ-and π-like symmetry with respect to the individual interface geometry. The theoretical study combines the calculation of single molecule properties by density functional theory [4] with the nonequilibrium Greens functions technique [5] to calculate the transport properties [6] of the device.

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