Аннотация
We theoretically investigate the electric rectification in an organic
two terminal push-pull molecular device using a combination of ab initio
techniques. Our main finding is that the electric rectification is
extremely sensitive to the length of the chain, undergoing a complete
switching after a specific chain length. This unique process occurs for
betaine-like donor-g bridge-acceptor systems and is directly associated
with a conjugated bridge in the presence of an external electric field.
The conjugated bridge between the donor and acceptor groups is composed of oligoethylene with sizes ranging from 0 to 10 C=C units. The
appearance of electric rectification occurs when the bridge size is
equal to 5 units and is complete for those larger than 6 units (i.e.,
full inversion). This new electronic effect is advantageous for the
design of large hybrid organic/inorganic circuits with an increased
majority carrier flow that is necessary for the emerging needs of
nanotechnology.
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