Publication Cover
Integrated Ferroelectrics
An International Journal
Volume 145, 2013 - Issue 1
472
Views
11
CrossRef citations to date
0
Altmetric
Original Articles

Molecular Dynamics Simulation of Interactions on Graphene/Polypyrrole Nanocomposites Interface

, , , , &
Pages 130-139 | Received 12 Sep 2012, Accepted 01 Feb 2013, Published online: 12 Jul 2013

References

  • Geim , K. and Novoselov , K. S. 2007 . The rise of graphene . Nature Materials , 6 : 183 – 191 .
  • Guo , S. J. and Dong , S. J. 2011 . Graphene nanosheet: synthesis, molecular engineering, thin film, hybrids, and energy and analytical applications . Chem. Soc. Rev. , 40 : 2644 – 2672 .
  • Loh , K. P. , Bao , Q. L. Ang , P. K. 2010 . The chemistry of graphene . J. Mater. Chem. , 20 : 2277 – 2289 .
  • Liu , J. H. , An , J. W. Ma , Y. X. 2012 . Synthesis of a Graphene-Polypyrrole Nanotube Composite and Its Application in Supercapacitor Electrode . J. Electrochem. Soc. , 159 : A828 – A833 .
  • Hsu , F. H. and Wu , T. M. 2012 . In situ synthesis and characterization of conductive polypyrrole/graphene composites with improved solubility and conductivity . Synthetic Metals. , 162 : 682 – 687 .
  • Jia , H. P. , Su , X. J. , Hou , G. L. Guo , F. 2010 . Progress in fabrication and microwave absorbtion capacity of graphene/polymer nanocomposites . Journal of Chemical Industry and Egneering(China) , 63 : 1663 – 1667 .
  • Zhang , J. , Lei , J. P. Pan , R. 2010 . Highly sensitive electrocatalytic biosensing of hypoxanthine based on functionalization of graphene sheets with water-soluble conducting graft copolymer . Biosensors and Bioelectronics. , 26 : 371 – 376 .
  • Chang , H. H. , Chang , C. K. Tsai , Y. C. 2012 . Electrochemically synthesized graphene/polypyrrole composites and their use in supercapacitor . Carbon , 50 : 2331 – 2336 .
  • Xian , X. J. , Jiao , L. Y. Xue , T. 2011 . Nanoveneers: An Electrochemical Approach to Synthesizing Conductive Layered Nanostructures . ACS Nano , 5 : 4000 – 4006 .
  • Cai , Y. M. , Qin , Z. Y. and Chen , L. 2011 . Effect of electrolytes on electrochemical properties of graphene sheet covered with polypyrrole thin layer . Progress in Natural Science: Materials International , 21 : 460 – 466 .
  • Bose , S. , Kuila , T. Uddin , M. E. 2010 . In-situ synthesis and characterization of electrically conductive polypyrrole/graphene nanocomposites . Polymer , 51 : 5921 – 5928 .
  • Zhuang , Z. J. , Li , J. Y. Xu , R. A. 2011 . Electrochemical Detection of Dopamine in the Presence of Ascorbic Acid Using Overoxidized Polypyrrole/Graphene Modified Electrodes[J] . Int. J. Electrochem. Sci. , 6 : 2149 – 2161 .
  • Zhang , T. , Xue , Q. Z. Zhang , S. 2012 . Theoretical approaches to graphene and graphene-based materials . Nano Today. , 7 : 180 – 200 .
  • Liu , Y. L. , Xie , B. and Xu , Z. P. 2011 . Mechanics of coordinative crosslinks in graphene nanocomposites: a first-principles study . J. Mater. Chem. , 21 : 6707 – 6712 .
  • Du , J. and Smith , S. C. 2011 . Electronic functionality in graphene-based nanoarchitectures: discovery and design via first-principles modeling . J. Phys. Chem. Lett. , 2 : 73 – 80 .
  • Lv , Xue , Q. Z. Xia , D. 2012 . Effect of chemisorption structure on the interfacial bonding characteristics of graphene–polymer composites . Applied Surface Science , 258 : 2077 – 2082 .
  • Lv , Xue , Q. Z. Xia , D. 2010 . Effect of chemisorption on the interfacial bonding characteristics of graphene-polymer composites . J. Phys. Chem. C. , 114 : 6588 – 6594 .
  • Sun , Y. L. , Mo , Z. L. Chen , H. 2009 . Molecular dynamics simulation of temperature effect on dendrimer/NanoGs/PPy interface material . Computational Materials Science , 46 : 162 – 166 .
  • 2010 . Materials Studio 5.5[CP] , San Diego : Acceirys Inc. .
  • Sun , H. 1998 . COMPASS: an ab Initio force-field optimized for condensed-phase applicationss overview with details on alkane and benzene compounds . J. Phys. Chem. B , 102 : 7338 – 7364 .
  • Allen , M. P. and Tildesley , T. J. 1987 . Computer simulation of liquids[M] , 155 – 164 . Oxford : Oxford Clarendon Press .
  • Anderson , H. C. 1980 . Molecular dynamics simulation at constant pressure and /or temperature . Journal of Chemical Physics , 72 : 2384 – 2393 .
  • Swope , W. C. , Anderson , H. C. and Berens , P. H. 1982 . A computer simulation method for the calculation of equilibrium constants for the formation of physical cluster of molecules: application to the small water clusters . Journal of Chemical Physics , 76 : 637 – 649 .
  • Heermann , D. W. 1990 . Computer Simulation Methods in Theretical Physics[M] , 81 – 100 . Berlin : Springer-Verlag .
  • Leach , R. 2001 . Molecular Modelling: principles and applications[M]. , 2nd ed. , 353 – 364 . London : Prentice Hall .
  • Levine , G. , Stone , J. E. and Kohlmeyer , A. 2011 . Fast analysis of molecular dynamics trajectories with graphics processing units—Radial distribution function histogramming . Journal of Computational Physics. , 230 : 3556 – 3569 .

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.