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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. https://resolver.caltech.edu/CaltechAUTHORS:20170614-092802954

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Abstract

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
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1021/jp072794aDOIArticle
http://pubs.acs.org/doi/abs/10.1021/jp072794aPublisherArticle
http://pubs.acs.org/doi/suppl/10.1021/jp072794aPublisherSupporting Information
ORCID:
AuthorORCID
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.
Funders:
Funding AgencyGrant Number
Intel Components ResearchUNSPECIFIED
NSFCCF-0524490
NSFCTS-0608889
Office of Naval Research (ONR)UNSPECIFIED
Army Research Office (ARO)UNSPECIFIED
Department of Energy (DOE)UNSPECIFIED
NIHUNSPECIFIED
ChevronUNSPECIFIED
Boehringer-IngelheimUNSPECIFIED
PfizerUNSPECIFIED
AllozymeUNSPECIFIED
NissanUNSPECIFIED
Dow-CorningUNSPECIFIED
DuPontUNSPECIFIED
Microelectronics Advanced Research Corporation (MARCO)UNSPECIFIED
Center on Functional Engineered NanoArchitectonics (FENA)UNSPECIFIED
Issue or Number:29
DOI:10.1021/jp072794a
Record Number:CaltechAUTHORS:20170614-092802954
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20170614-092802954
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
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:14 Jun 2017 17:08
Last Modified:15 Nov 2021 17:37

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