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|a 865020437
|a 1162072583
|a 1290065016
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|a 9781118691298
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|b Recorded Books
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|a (OCoLC)861558894
|z (OCoLC)865020437
|z (OCoLC)1162072583
|z (OCoLC)1290065016
|z (OCoLC)1303460634
|z (OCoLC)1328378587
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|a QD341.H9 .G384 2013
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|a HCDD
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| 100 |
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|a Jiang, De-en,
|d 1975-
|1 https://id.oclc.org/worldcat/entity/E39PCjtrxRfDwmTjVXtRvXqqgq
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| 245 |
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|a Graphene Chemistry :
|b Theoretical Perspectives.
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| 260 |
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|a Hoboken :
|b Wiley,
|c 2013.
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| 300 |
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|a 1 online resource (497 pages)
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| 336 |
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|a text
|b txt
|2 rdacontent
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| 337 |
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|a computer
|b c
|2 rdamedia
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|a online resource
|b cr
|2 rdacarrier
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|a Print version record.
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|a Graphene Chemistry; Contents; List of Contributors; Preface; Acknowledgements; 1 Introduction; 2 Intrinsic Magnetism in Edge-Reconstructed Zigzag Graphene Nanoribbons; 2.1 Methodology; 2.1.1 Effective Valence Bond Model; 2.1.2 Density Matrix Renormalization Group Method; 2.1.3 Density Functional Theory Calculations; 2.2 Polyacene; 2.3 Polyazulene; 2.4 Edge-Reconstructed Graphene; 2.4.1 Energy Gap; 2.4.2 Frontier Molecular Orbitals; 2.4.3 Projected Density of States; 2.4.4 Spin Density in the Triplet State; 2.5 Conclusion; Acknowledgments; References.
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|a 3 Understanding Aromaticity of Graphene and Graphene Nanoribbons by the Clar Sextet Rule3.1 Introduction; 3.1.1 Aromaticity and Clar Theory; 3.1.2 Previous Studies of Carbon Nanotubes; 3.2 Armchair Graphene Nanoribbons; 3.2.1 The Clar Structure of Armchair Graphene Nanoribbons; 3.2.2 Aromaticity of Armchair Graphene Nanoribbons and Band Gap Periodicity; 3.3 Zigzag Graphene Nanoribbons; 3.3.1 Clar Formulas of Zigzag Graphene Nanoribbons; 3.3.2 Reactivity of Zigzag Graphene Nanoribbons; 3.4 Aromaticity of Graphene; 3.5 Perspectives; Acknowledgements; References.
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|a 4 Physical Properties of Graphene Nanoribbons: Insights from First-Principles Studies4.1 Introduction; 4.2 Electronic Properties of Graphene Nanoribbons; 4.2.1 Zigzag Graphene Nanoribbons; 4.2.2 Armchair Graphene Nanoribbons; 4.2.3 Graphene Nanoribbons with Finite Length; 4.2.4 Surface Chemical Adsorption; 4.3 Mechanical and Electromechanical Properties of GNRs; 4.4 Summary; Acknowledgements; References; 5 Cutting Graphitic Materials: A Promising Way to Prepare Graphene Nanoribbons; 5.1 Introduction; 5.2 Oxidative Cutting of Graphene Sheets; 5.2.1 Cutting Mechanisms.
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|a 5.2.2 Controllable Cutting5.3 Unzipping Carbon Nanotubes; 5.3.1 Unzipping Mechanisms Based on Atomic Oxygen; 5.3.2 Unzipping Mechanisms Based on Oxygen Pairs; 5.4 Beyond Oxidative Cutting; 5.4.1 Metal Nanoparticle Catalyzed Cutting; 5.4.2 Cutting by Fluorination; 5.5 Summary; References; 6 Properties of Nanographenes; 6.1 Introduction; 6.2 Synthesis; 6.3 Computation; 6.4 Geometry of Zigzag-Edged Hexangulenes; 6.5 Geometry of Armchair-Edged Hexangulenes; 6.6 Geometry of Zigzag-Edged Triangulenes; 6.7 Magnetism of Zigzag-Edged Hexangulenes; 6.8 Magnetism of Zigzag-Edged Triangulenes.
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|a 6.9 Chimeric Magnetism6.10 Magnetism of Oligocenes, Bisanthene-Homologs, Squares and Rectangles; 6.10.1 Oligocene Series: C4m+2H2m+4 (na = 1; m = 2, 3, 4 . . .); 6.10.2 Bisanthene Series: C8m+4H2m+8 (na = 3; m = 2, 3, 4 . . .); 6.10.3 Square and Rectangular Nano-Graphenes: C8m+4H2m+8 (m = 2, 3, 4 . . .); 6.11 Concluding Remarks; Acknowledgment; References; 7 Porous Graphene and Nanomeshes; 7.1 Introduction; 7.1.1 Graphene-Based Nanomeshes; 7.1.2 Graphene-Like Polymers; 7.1.3 Other Relevant Subjects; 7.1.3.1 Isotope Separation; 7.1.3.2 Van der Waals Correction for Density Functional Theory.
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|a 7.1.3.3 Potential Energy Surfaces for Hindered Molecular Motions Within the Narrow Pores.
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|a Graphene Chemistry: Theoretical Perspectives presents recent exciting developments to correlate graphene's properties and functions to its structure through state-of-the-art computational studies. This book focuses on the chemistry aspect of the structure-property relationship for many fascinating derivatives of graphene; various properties such as electronic structure, magnetism, and chemical reactivity, as well as potential applications in energy storage, catalysis, and nanoelectronics are covered. The book also includes two chapters with significant experimental portio.
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|a Includes bibliographical references and index.
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| 546 |
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|a English.
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| 650 |
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|a Technology.
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| 650 |
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|a Graphene.
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| 650 |
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|a TECHNOLOGY & ENGINEERING
|x Materials Science.
|2 bisacsh
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| 650 |
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|a Graphene
|2 fast
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| 650 |
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|a Technology
|2 fast
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| 700 |
1 |
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|a Chen, Zhongfang.
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| 758 |
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|i has work:
|a Graphene chemistry (Text)
|1 https://id.oclc.org/worldcat/entity/E39PCGTqgYCB4KmhWhKv6kGGVy
|4 https://id.oclc.org/worldcat/ontology/hasWork
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| 776 |
0 |
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|i Print version:
|a Jiang, De-en.
|t Graphene Chemistry : Theoretical Perspectives.
|d Hoboken : Wiley, ©2013
|z 9781119942122
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| 856 |
4 |
0 |
|u https://ebookcentral.proquest.com/lib/holycrosscollege-ebooks/detail.action?docID=1441763
|y Click for online access
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|a EBC-AC
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|a 92
|b HCD
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