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An ab initio approach to the calculation of current-voltage characteristics of programmable molecular devices

Molecular electronics can be developed if we are able to program a random arrangement of molecules or a field-programmable molecular random array. The ansatz that small molecules can be programmed needs to be demonstrated; this means characterizing the smallest molecular system with programmable fea...

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Bibliographic Details
Published in:Proceedings of the IEEE 2003-11, Vol.91 (11), p.1958-1975
Main Authors: Seminario, J.M., Cordova, L.E., Derosa, P.A.
Format: Article
Language:English
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Summary:Molecular electronics can be developed if we are able to program a random arrangement of molecules or a field-programmable molecular random array. The ansatz that small molecules can be programmed needs to be demonstrated; this means characterizing the smallest molecular system with programmable features. We demonstrate that even two molecules in a series conformation can have multivalued responses and, thus, is able to be programmed; we also indicate how to extend this programmability to other molecular circuit conformations. Current programs for the calculation of current-voltage characteristics of electronic circuits, needed for such demonstrations, are only capable of predicting single-valued characteristics. We present results from our ab initio procedures that couple the molecular approaches with a practical analysis of molecular circuits having strong nonlinearities.
ISSN:0018-9219
1558-2256
DOI:10.1109/JPROC.2003.818328