Analysis of a dinitro-based molecular device
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abstract
An overview is given on the characteristics of a recently synthesized molecule based on its theoretical analysis and based on what is known theoretically and experimentally about a similar molecule. It is shown that substituent groups in the central ring practically do not affect the geometry of the interface metal-molecule. The Au stabilizes the two molecules allowing them to have stable anions and dianions. Theoretical and molecular experiments indicate that there are two ways how NDR and RT can be obtained from a single molecule: by charging the molecule, and by the intrinsic resonant tunneling (IRT) inherent to most molecular systems.
