Integrated Multiscale Modeling of Molecular Computing Devices |
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Materials:
Nanomaterials
Metals
Application: Nanotechnology Electronic Technique: Computation |
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A major challenge in the fabrication of molecular electronics (ME) devices is the nanopatterning of millions of molecular wires necessary in constructing transistors and other devices to realize complex circuitry. Two approaches to ordering molecules into arrays are nanolithography and SA. While nanolithography may ultimately attain pattern sizes near 10 nm, 1-2 nm patterns containing well separated, individual molecular wires are not expected to be achieved with this approach. Instead, self-assembly approaches in which thiolated molecules tightly bind and form well-ordered arrays on gold surfaces is being pursued for fabrication of (ME) devices. The details of the assembly process and the resulting patterns will depend intimately on the interplay between entropic and energetic forces between the molecules and between the molecules and substrate. By appropriately tuning these forces, different nanopatterns that persist over large distances and compartmentalize millions of molecular wires can potentially be obtained. Key to fabrication processes relying on self-assembly is strict control over the assembled structures. ME devices involving chemical assembly in the fabrication process are likely to be imperfect, resulting in potential defects that, if excessive, could cause failure of the device. For this reason, is it important to quantify the degree of order attained by various assembly routes, and the propensity for certain assembly methods to produce defect-free or low-defect ordered structures. As ME devices become increasingly complex, interfacing with arrays of quantum dots and other nanocomponents to yield complex nanoelectronic machines, quantification of order and the development of strategies to control order will become increasingly important.
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