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Contact Resistance for “End-Contacted” Metal−Graphene and Metal−Nanotube Interfaces from Quantum Mechanics

Matsuda, Yuki and Deng, Wei-Qiao and Goddard, William A., III (2010) Contact Resistance for “End-Contacted” Metal−Graphene and Metal−Nanotube Interfaces from Quantum Mechanics. Journal of Physical Chemistry C, 114 (41). pp. 17845-17850. ISSN 1932-7447.

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In this paper, we predict the current−voltage (I−V) characteristics and contact resistance of “end-contacted” metal electrode−graphene and metal electrode−carbon nanotube (CNT) interfaces for five metals, Ti, Pd, Pt, Cu, and Au, based on the first-principles quantum mechanical (QM) density functional and matrix Green’s function methods. We find that the contact resistance (normalized to surface C atoms) is 107 kΩ for Ti, 142 kΩ for Pd, 149 kΩ for Pt, 253 kΩ for Cu, and 187 kΩ for Au. This can be compared with the contact resistance (per C) for “side-contacted” metal−graphene or metal−CNT interfaces of 8.6 MΩ for Pd, 34.7 MΩ for Pt, 630 MΩ for Cu, etc. Those are in good agreement with available experimental results, 40.5 MΩ for Pt, for example. Thus, compared to the values for side-contacted interfaces from QM, we find a decrease in contact resistance by factors ranging from 6751 for Au and 2488 for Cu, to 233 for Pt and 60 Pd, to 8.8 for Ti. This suggests a strong advantage for developing technology to achieve “end-contacted” configurations.

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Goddard, William A., III0000-0003-0097-5716
Additional Information:© 2010 American Chemical Society. Received: July 21, 2008; Revised Manuscript Received: June 29, 2010. Published on Web 09/23/2010. This work was supported partially by Intel Components Research (Kevin O’Brien, Florian Gstrein, and James Blackwell) and by the National Science Foundation (CCF-0524490 and CTS-0608889). The computer systems used in this research were provided by ARO-DURIP and ONR-DURIP. Additional support for the MSC was provided by ONR, ARO, DOE, NIH, Chevron, Boehringer-Ingelheim, Pfizer, Allozyne, Nissan, Dow-Corning, and DuPont, with additional support by the Functional Engineered Nano Architectonics (FENA) via the Microelectronics Advanced Research Corporation (MARCO) with the prime award (2009-NT-2048) at UCLA (PI Kang Wang).
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Intel Components ResearchUNSPECIFIED
Issue or Number:41
Record Number:CaltechAUTHORS:20101102-093612915
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Official Citation:Contact Resistance for “End-Contacted” Metal−Graphene and Metal−Nanotube Interfaces from Quantum Mechanics Yuki Matsuda, Wei-Qiao Deng, William A. Goddard III The Journal of Physical Chemistry C 2010 114 (41), 17845-17850
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:20635
Deposited By: Jason Perez
Deposited On:03 Nov 2010 15:10
Last Modified:26 Nov 2019 11:15

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