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Perusing Quantum Transport Through Geometric Gold Electrodes in Flexible Electronics

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The quantum ballistic transport through two different molecular wires consisting of single and double molecules of pyridine was scrutinized by sandwiching them in between different flexible electrodes that were modelled by altering the shape and structure of conventional gold electrodes. Assorted attributes were then simulated for variegated bias voltages employing Keldysh's non-equilibrium green function (NEGF) formalism and Extended Hückel Theory (EHT). Further investigations were done for the out of equilibrium charge distribution and the behaviour of the self-consistent potential towards the computation of transport parameters. The computed results clearly manifested the effect of the alterations in shape of electrodes on performance parameters, with stable edged shapes exhibiting better transport characteristics than their unstable edged counterparts for shorter molecular wire of single molecule, while for longer molecular wire consisting of double molecule of pyridine, so called unstable shapes of higher order delivered better results. The results generated by this research paper paved the way for the new field of molecular electronics called “Geometronics” for advanced applications like flexible electronics, sensor probes for nano electronic measurements and more such challenges in future.
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Keywords: CKEL THEORY (EHT); EXTENDED HÜ GEOMETRONICS; MOLECULAR ELECTRONICS; MOLECULAR ORBITAL (MO); NON EQUILIBRIUM GREEN'S FUNCTION (NEGF); PYRIDINE (C5H5N)

Document Type: Research Article

Publication date: April 1, 2015

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  • QUANTUM MATTER is a peer-reviewed interdisciplinary journal consolidating research activities in all theoretical, experimental and technological aspects dealing with fundamental structure of matter from cosmology to materials science.
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