Molecular Dynamics Simulations of a Molecular Electronics Device: The NanoCell
نویسندگان
چکیده
Molecular dynamics simulations using ab initio force fields and signal processing techniques are combined to analyze the dynamic properties of a minimum unit of a field programmable random molecular array also called nanocell. We analyze stretching, angular, and torsional internal modes at several temperatures of operation and their correlations as well as the possibility of signal modulation and processing at terahertz frequencies. The proposed scenario is another alternative for molecular electronics, which is being developed at very low frequencies of operation using the electronic states of molecules, clusters and other nanoscopic systems.
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