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Contact Resistance Properties between Nanotubes and Various Metals from Quantum Mechanics

Matsuda, Yuki and Deng, Wei-Qiao and Goddard, William A., III (2007) Contact Resistance Properties between Nanotubes and Various Metals from Quantum Mechanics. Journal of Physical Chemistry C, 111 (29). pp. 11113-11116. ISSN 1932-7447. doi:10.1021/jp072794a.

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We report on the interfacial structure, the current−voltage (I−V) characteristics, and contact resistance of metal electrode−carbon nanotube contacts for five metals, Ti, Pd, Pt, Cu, and Au, based on first-principles quantum mechanical density functional and matrix Green's function methods. We find that Ti leads to the lowest contact resistance followed by Pd, Pt, Cu, and Au. The sequence, Ti ≫ Pd > Pt > Cu > Au, correlates well with the predicted cohesive strength of the electrode−carbon interface. In addition Ti leads to linear I−V characteristics up to ∼1 V, suggesting an Ohmic contact for both metallic and semiconductor nanotubes. However, the high reactivity of the Ti electrode at the contact to the nanotube distorts the nanotube structure.

Item Type:Article
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Goddard, William A., III0000-0003-0097-5716
Additional Information:© 2007 American Chemical Society. Received 10 April 2007. Published online 3 July 2007. Published in print 1 July 2007. This work was supported by Intel Components Research (Kevin O'Brien, James M. Blackwell, and Florian Gstrein) and by the National Science Foundation (Grant Nos. CCF-0524490 and CTS-0608889). The computer systems used in the research were provided by ARO-DURIP and ONR-DURIP. Additional support for this research was provided by ONR, ARO, DOE, NIH, Chevron, Boehringer-Ingelheim, Pfizer, Allozyme, Nissan, Dow-Corning, DuPont, and MARCO-FENA.
Funding AgencyGrant Number
Intel Components ResearchUNSPECIFIED
Office of Naval Research (ONR)UNSPECIFIED
Army Research Office (ARO)UNSPECIFIED
Department of Energy (DOE)UNSPECIFIED
Microelectronics Advanced Research Corporation (MARCO)UNSPECIFIED
Center on Functional Engineered NanoArchitectonics (FENA)UNSPECIFIED
Issue or Number:29
Record Number:CaltechAUTHORS:20170614-092802954
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Official Citation:Contact Resistance Properties between Nanotubes and Various Metals from Quantum Mechanics Yuki Matsuda, Wei-Qiao Deng, and William A. Goddard, III The Journal of Physical Chemistry C 2007 111 (29), 11113-11116 DOI: 10.1021/jp072794a
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:78196
Deposited By: Ruth Sustaita
Deposited On:14 Jun 2017 17:08
Last Modified:15 Nov 2021 17:37

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