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Effects of electrode contact on geometry structure and transport properties of the graphene-based nanomolecule devices
KTH, School of Biotechnology (BIO), Theoretical Chemistry (closed 20110512).
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2010 (English)In: INEC 2010 - 2010 3rd International Nanoelectronics Conference, Proceedings, IEEE , 2010, 217-218 p.Conference paper (Refereed)
Abstract [en]

A series of graphene-based nanomolecule devices are constructed by connecting the graphene nanodot to two Au electrodes through different bond length between the electrodes and molecules. The geometric structure and electronic properties are studied by using density functional theory calculations. Basing on the optimized structure, we calculate the quantum conductance of the system by using the Green's function method. We find that the geometry structures of the molecule and the transport properties are sensitive to the bond length dAu-H. The plane of carbon atoms increasingly bends with the decrease of the dAu-H. The ISD-V SD curves have the same threshold value under different d Au-H.

Place, publisher, year, edition, pages
IEEE , 2010. 217-218 p.
Keyword [en]
Au electrodes, Carbon atoms, Density functional theory calculations, Electrode contacts, Geometric structure, Geometry structure, Green's function methods, Nanodots, Optimized structures, Quantum conductance
National Category
Electrical Engineering, Electronic Engineering, Information Engineering Nano Technology
URN: urn:nbn:se:kth:diva-149414DOI: 10.1109/INEC.2010.5424642ISI: 000282026500111ScopusID: 2-s2.0-77951654406ISBN: 978-1-4244-3543-2OAI: diva2:741593
2010 3rd International Nanoelectronics Conference, INEC 2010, 3 January 2010 through 8 January 2010, Hongkong, China

QC 20140828

Available from: 2014-08-28 Created: 2014-08-21 Last updated: 2014-08-28Bibliographically approved

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Jiang, Jun
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Theoretical Chemistry (closed 20110512)
Electrical Engineering, Electronic Engineering, Information EngineeringNano Technology

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ReferencesLink to record
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