First‐Principles Simulations of Conditions of Enhanced Adhesion Between Copper and TaN(111) Surfaces Using a Variety of Metallic Glue Materials
2009; Wiley; Volume: 49; Issue: 1 Linguagem: Inglês
10.1002/anie.200905360
ISSN1521-3773
AutoresBo Han, Jinping Wu, Chenggang Zhou, Bei Chen, Roy G. Gordon, Xinjian Lei, David A. Roberts, Hansong Cheng,
Tópico(s)Graphene research and applications
ResumoAngewandte Chemie International EditionVolume 49, Issue 1 p. 148-152 Communication First-Principles Simulations of Conditions of Enhanced Adhesion Between Copper and TaN(111) Surfaces Using a Variety of Metallic Glue Materials† Bo Han, Bo Han Engineering Research Center of Nano-Geomaterials of Ministry of Education and Institute of Theoretical Chemistry and Computational Materials Science, China University of Geosciences Wuhan, 388 Lumo RD, Wuhan 430074 (China), Fax: (+86) 27-6788-3431Search for more papers by this authorJinping Wu Prof., Jinping Wu Prof. [email protected] Engineering Research Center of Nano-Geomaterials of Ministry of Education and Institute of Theoretical Chemistry and Computational Materials Science, China University of Geosciences Wuhan, 388 Lumo RD, Wuhan 430074 (China), Fax: (+86) 27-6788-3431Search for more papers by this authorChenggang Zhou Dr., Chenggang Zhou Dr. Engineering Research Center of Nano-Geomaterials of Ministry of Education and Institute of Theoretical Chemistry and Computational Materials Science, China University of Geosciences Wuhan, 388 Lumo RD, Wuhan 430074 (China), Fax: (+86) 27-6788-3431Search for more papers by this authorBei Chen, Bei Chen Engineering Research Center of Nano-Geomaterials of Ministry of Education and Institute of Theoretical Chemistry and Computational Materials Science, China University of Geosciences Wuhan, 388 Lumo RD, Wuhan 430074 (China), Fax: (+86) 27-6788-3431Search for more papers by this authorRoy Gordon Prof., Roy Gordon Prof. Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA 02138 (USA)Search for more papers by this authorXinjian Lei Dr., Xinjian Lei Dr. Air Products and Chemicals, Inc. 1969 Palomar Oaks Way, Carlsbad, CA 92011 (USA)Search for more papers by this authorDavid A. Roberts Dr., David A. Roberts Dr. Air Products and Chemicals, Inc. 7201 Hamilton Boulevard, Allentown, PA 18195-1501 (USA)Search for more papers by this authorHansong Cheng Dr., Hansong Cheng Dr. [email protected] Engineering Research Center of Nano-Geomaterials of Ministry of Education and Institute of Theoretical Chemistry and Computational Materials Science, China University of Geosciences Wuhan, 388 Lumo RD, Wuhan 430074 (China), Fax: (+86) 27-6788-3431Search for more papers by this author Bo Han, Bo Han Engineering Research Center of Nano-Geomaterials of Ministry of Education and Institute of Theoretical Chemistry and Computational Materials Science, China University of Geosciences Wuhan, 388 Lumo RD, Wuhan 430074 (China), Fax: (+86) 27-6788-3431Search for more papers by this authorJinping Wu Prof., Jinping Wu Prof. [email protected] Engineering Research Center of Nano-Geomaterials of Ministry of Education and Institute of Theoretical Chemistry and Computational Materials Science, China University of Geosciences Wuhan, 388 Lumo RD, Wuhan 430074 (China), Fax: (+86) 27-6788-3431Search for more papers by this authorChenggang Zhou Dr., Chenggang Zhou Dr. Engineering Research Center of Nano-Geomaterials of Ministry of Education and Institute of Theoretical Chemistry and Computational Materials Science, China University of Geosciences Wuhan, 388 Lumo RD, Wuhan 430074 (China), Fax: (+86) 27-6788-3431Search for more papers by this authorBei Chen, Bei Chen Engineering Research Center of Nano-Geomaterials of Ministry of Education and Institute of Theoretical Chemistry and Computational Materials Science, China University of Geosciences Wuhan, 388 Lumo RD, Wuhan 430074 (China), Fax: (+86) 27-6788-3431Search for more papers by this authorRoy Gordon Prof., Roy Gordon Prof. Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA 02138 (USA)Search for more papers by this authorXinjian Lei Dr., Xinjian Lei Dr. Air Products and Chemicals, Inc. 1969 Palomar Oaks Way, Carlsbad, CA 92011 (USA)Search for more papers by this authorDavid A. Roberts Dr., David A. Roberts Dr. Air Products and Chemicals, Inc. 7201 Hamilton Boulevard, Allentown, PA 18195-1501 (USA)Search for more papers by this authorHansong Cheng Dr., Hansong Cheng Dr. [email protected] Engineering Research Center of Nano-Geomaterials of Ministry of Education and Institute of Theoretical Chemistry and Computational Materials Science, China University of Geosciences Wuhan, 388 Lumo RD, Wuhan 430074 (China), Fax: (+86) 27-6788-3431Search for more papers by this author First published: 22 December 2009 https://doi.org/10.1002/anie.200905360Citations: 16 † The work is supported by the National Natural Science Foundation of China (No. 20873127) and Air Products and Chemicals, Inc. (USA). Read the full textAboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onEmailFacebookTwitterLinkedInRedditWechat Graphical Abstract Better than Elmer's glue: Three necessary conditions for enhancement of solid interfacial interactions guide materials design to create strong, stable composites for interfacial adhesion. Ab initio molecular dynamics simulations were used to study copper adhesion on TaN(111) surfaces with a variety of intervening metals to enhance adhesion (see picture). The predicted adhesion phenomena agree well with experimental observations. Supporting Information Detailed facts of importance to specialist readers are published as "Supporting Information". Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Filename Description anie_200905360_sm_miscellaneous_information.pdf780.5 KB miscellaneous_information Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article. References 1A. T. Bell, Science 2003, 299, 1688. 2J. H. Golden, H. Deng, F. J. DiSalvoa, J. M. J. Frechet, P. M. Thompson, Science 1995, 268, 1463. 3R. L. Augustin, Heterogeneous Catalysis for the Synthetic Chemist, Marcel Dekker, New York, 1995. 4A. Lando, N. Kebaili, P. Cahuzac, A. Masson, C. Brechignac, Phys. Rev. Lett. 2006, 97, 133402. 5P. Zhang, T. K. Sham, Phys. Rev. Lett. 2003, 90, 245502. 6C. Zhao, Z. 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