Molecular devices operating at terahertz frequencies: theoretical simulations and perspectives

Statistics – Applications

Scientific paper

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Scientific paper

We review dynamic simulations on a molecular device named "nanocell" proposed for THz signal processing. In this preliminary study we conclude that signals applied to nanosized gold clusters interconnecting single molecules can modulate vibrational modes in the THz spectrum of the internal coordinates defining molecular bonds. Intensities involved in natural vibrational modes, which are experimentally recoverable in spectroscopy measurements. We can recover components due to couplings between local modes, and thus we provide a computational simulation of the possibility of using molecular vibrational modes for molecular electronics. The vibration of atoms can encode information that reflects local variations of electrical dipole and polarizability.

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