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Conductance of linear carbon wires bridging carbon nanotubes
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
(English)Manuscript (preprint) (Other academic)
Abstract [en]

The cumulenes bridging two-dimensional electrodes provide a model for interconnecting molecular electronics circuit with one of the most conductive molecular wires known. In recent experiments cumulene molecules bridging graphene sheets were observed [PRL 102, 205501 (2009)], thus demonstrating the mechanical way of producing cumulenes. Appearance of carbon wires: cumulenes and polynes, is also feasible between graphene sheets or carbon nanotubes (CNTs). In this work, we study structure and conductance of these wires  suspended between CNTs of different chirality (zigzag and armchair), and graphene sheets (infinite radii CNTs) and corresponding conductance variation upon stretching. We find the geometrical structures of the carbon wire bridging CNT similar to the experimentally observed in the carbon wires obtained between graphene electrodes. We show a capability to modulate the conductance by changing bridging sites between the carbon wire and CNT without breaking the wire. Observed current modulation via cumulene wire stretching/elongation together with CNT stability makes it a promising candidate for mechano-switching device in molecular nanoelectronics.

National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:uu:diva-160469OAI: oai:DiVA.org:uu-160469DiVA: diva2:451137
Projects
KoF U3MEC
Available from: 2011-10-24 Created: 2011-10-24 Last updated: 2012-04-25
In thesis
1. Molecular Electronics: Insight from Ab-Initio Transport Simulations
Open this publication in new window or tab >>Molecular Electronics: Insight from Ab-Initio Transport Simulations
2011 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

This thesis presents the theoretical studies of electronic transport in molecular electronic devices. Such devices have been proposed and investigated as a promising new approach that complements conventional silicon-based electronics. To design and fabricate future nanoelectronic devices, it is essential to understand the conduction mechanism at a molecular or atomic level. Our approach is based on the non-equilibrium Green's function method (NEGF) combined with density functional theory (DFT). We apply the method to study the electronic transport properties of two-probe systems consisting of molecules or atomic wires sandwiched between leads. A few molecular electronic devices are characterized; namely, conducting molecular wires, molecular switches and molecular recognition sensors. The considered applications are interconnection of different nanoelectronic units with cumulene molecular wires; adding switching functionality to the molecular connectors by applying stress to the CNT-cumulene-CNT junction or by introducing phthalocyanine unit; sensing of individual nucleotides, e.g., for DNA sequencing applications. The obtained results provide useful insights into the electron transport properties of molecules. Several interesting and significant features are analyzed and explained in particular such as, level pinning, negative differential resistance, interfering of conducting channels etc.

Place, publisher, year, edition, pages
Uppsala: Acta Universitatis Upsaliensis, 2011. 67 p.
Series
Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1651-6214 ; 875
Keyword
Molecular Electronics, Ab Initio, DNA Sequencing, Nanoscience, Graphene
National Category
Condensed Matter Physics
Research subject
Physics with spec. in Atomic, Molecular and Condensed Matter Physics
Identifiers
urn:nbn:se:uu:diva-160474 (URN)978-91-554-8208-4 (ISBN)
Public defence
2011-12-08, Å80101, Ångströmlaboratoriet, Lägerhyddsvägen 1, Uppsala, 10:15 (English)
Opponent
Supervisors
Available from: 2011-11-17 Created: 2011-10-24 Last updated: 2014-01-27Bibliographically approved

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Grigoriev, AntonAhuja, Rajeev

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