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Improving Contact Resistance at the Nanotube−Cu Electrode Interface Using Molecular Anchors

Matsuda, Yuki and Deng, Wei-Qiao and Goddard, William A., III (2008) Improving Contact Resistance at the Nanotube−Cu Electrode Interface Using Molecular Anchors. Journal of Physical Chemistry C, 112 (29). pp. 11042-11049. ISSN 1932-7447. doi:10.1021/jp8021776.

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It is anticipated that future nanoelectronic devices will utilize carbon nanotubes (CNT) and/or single graphene sheets (SGS) as the low-level on-chip interconnects or functional elements. Here we address the contact resistance of Cu for higher level on-chip interconnects with CNT or SGS elements. We use first-principles quantum mechanical (QM) density functional and matrix Green’s function methods to show that perfect Cu−SGS contact has a contact resistance of 16.3 MΩ for a one square nanometer contact. Then we analyzed possible improvements in contact resistance through incorporation of simple functional groups such as aryl (−C_6H_4−), acetylene (−CC−), carboxyl (−COO−), and amide (−CONH−), on CNT. We find that all four anchors enhance the interfacial mechanical stabilities and electrical conductivity. The best scenario is −COOH functionalized CNT which reduces the contact resistance to the Cu by a factor of 275 and increases the mechanical stability by 26 times.

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Goddard, William A., III0000-0003-0097-5716
Additional Information:© 2008 American Chemical Society. Received: March 12, 2008; Revised Manuscript Received: April 17, 2008. Publication Date (Web): June 27, 2008. We thank Dr. Jamil Tahir-Kheli for helpful discussions. 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, 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
Issue or Number:29
Record Number:CaltechAUTHORS:20170419-095919279
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Official Citation:Improving Contact Resistance at the Nanotube−Cu Electrode Interface Using Molecular Anchors Yuki Matsuda, Wei-Qiao Deng, and William A. Goddard, III The Journal of Physical Chemistry C 2008 112 (29), 11042-11049 DOI: 10.1021/jp8021776
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:76670
Deposited By: Tony Diaz
Deposited On:19 Apr 2017 17:18
Last Modified:15 Nov 2021 17:01

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