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Theoretical approaches to graphene and graphene-based materials

Paper ID Volume ID Publish Year Pages File Format Full-Text
32453 44930 2012 21 PDF Available
Title
Theoretical approaches to graphene and graphene-based materials
Abstract

SummaryGraphene with its peculiar and exceptional properties has been widely used in the preparation of next generation functional nanocomposites. However, future development of graphene and graphene-based composites crucially depends on the fundamental understandings of their hierarchical structures and dynamical behaviors provided by multiscale modeling and simulation. In the beginning of this review, some computational methods that have been applied extensively in the area of graphene and graphene-based composites are introduced, covering from Quantum Chemistry approach, Molecular Dynamics method to Monte Carlo simulation technique. Then the applications of these methods to various aspects of graphene and graphene-based composites are discussed in some detail. Particular emphasis is laid on researches that explore the physical properties, interacting mechanisms, and potential applications of graphene-based materials. Finally, future challenges and perspectives in modeling and simulation of graphene-based composites are addressed.

Graphical abstractFigure optionsDownload full-size imageDownload high-quality image (260 K)Download as PowerPoint slideHighlights► Covers interacting mechanisms, physical properties, potential applications of graphene and graphene-based composites. ► CMS helps explain experimental phenomena, analyze interacting processes and provide guidance to experimental research. ► Detailed systematic study on the theoretical studies of graphene-based materials. ► Helpful for the future theoretical investigations and experimental fabrications of graphene-based composites.

Keywords
Graphene; Composites; Modeling; Simulation; Properties
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Theoretical approaches to graphene and graphene-based materials
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Publisher
Database: Elsevier - ScienceDirect
Journal: - Volume 7, Issue 3, June 2012, Pages 180–200
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Bioengineering
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us