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Conductivity of carbon-based molecular junctions from ab-initio methods
KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology. University of Science and Technology of China.ORCID iD: 0000-0003-0007-0394
2014 (English)In: Frontiers of Physics, ISSN 2095-0462, Vol. 9, no 6, 748-759 p.Article, review/survey (Refereed) Published
Abstract [en]

Carbon nanomaterials (CNMs) are prompting candidates for next generational electronics. In this review we provide a mini overview of recent results on the conductivity of carbon-based molecular junctions obtained from ab-initio methods. CNMs used as nanoelectrodes and molecular materials in molecular junctions are discussed. The functionalities that include the nanomechanically controlled molecular conductance switches, negative differential resistance devices, and electronic rectifiers realized by using CNMs have been demonstrated.

Place, publisher, year, edition, pages
2014. Vol. 9, no 6, 748-759 p.
Keyword [en]
carbon nanotubes, graphene, all-carbon nanodevice, quantum transport, ab-initio molecular dynamics simulations
National Category
Physical Sciences
URN: urn:nbn:se:kth:diva-158442DOI: 10.1007/s11467-014-0424-2ISI: 000346165700005ScopusID: 2-s2.0-84916242512OAI: diva2:777229
Swedish Research Council

QC 20150108

Available from: 2015-01-08 Created: 2015-01-08 Last updated: 2015-01-08Bibliographically approved

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Luo, Yi
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