Exotic Properties of Carbon Nanomatter: Advances in Physics and Chemistry (Carbon Materials: Chemistry and Physics Book 8)

"This title reports the state-of-the-art advancements in modeling and characterization of fundamental and the recently designed carbon based nanocomposites (graphenes, fullerenes, polymers, crystals and allotropic forms). Written by leading experts in the field, the book explores the quantification, indexing, and interpretation of physical and chemical exotic properties related with space-time structure-evolution, phase transitions, chemical reactivity, and topology. Exotic Properties of Carbon Nanomatter is aimed at researchers in academia and industry"--Back cover Preface 6 Contents 9 Contributors 11 Chapter 1 Ode to the Chemical Element Carbon 15 1.1 Isotopic Carbon Nuclei 15 1.2 Carbon Atoms 17 1.3 Carbon Chemical Bonding 19 1.4 Chemical Abstracts Service: Documentation in Chemistry versus Other Sciences 20 1.5 The Hard and Dense Carbon Allotrope, Diamond, and Its Diamondoid Hydrocarbon Relatives 21 1.6 A Soft Carbon Allotrope, Graphite; Graphene; and Benzenoid Hydrocarbon Relatives 26 1.7 The Newer Allotropes of Carbon: Fullerenes, Nanotubes, Nanocones, Nanotori 28 1.8 Concluding Remarks 30 References 30 Chapter 2 Origami: Self Organizing Polyhexagonal Carbon Structures for Formation of Fullerenes, Nanotubes and Other Carbon Structures 33 2.1 Introduction 33 2.2 Tight Binding Molecular Dynamics Calculation 34 2.3 Patterning of Graphene 37 2.3.1 Experimental Patterning 37 2.3.2 Geometrical Patterning Including Multiples of Some Atoms 37 2.3.3 Geometrical Patterning for Self Organizing Processes 38 2.4 Conclusions 44 References 45 Chapter 3 Collective Excitations in Monolayer Graphene on Metals: Phonons and Plasmons 47 3.1 Preface 48 3.2 Experimental Methods 50 3.2.1 UHV Chamber 50 3.2.2 The EELS Technique 51 3.2.3 HREEL Spectrometer 55 3.3 Phonon Modes of Epitaxial Graphene 55 3.3.1 Structure of Graphene on Pt(111) 55 3.3.2 Phonon Dispersion 58 3.3.3 KAs 62 3.4 Electronic Collective Excitations in Epitaxial Graphene 63 3.4.1 General Consideration on Plasmons in Graphene 63 3.4.2 Evidence for Acoustic-Like Plasmons 66 3.4.3 Dispersion and Damping Processes of π Plasmon 69 References 76 Chapter 4 Understanding the Exohedral Functionalization of Endohedral Metallofullerenes 81 4.1 Introduction 82 4.1.1 Endohedral Metallofullerenes 82 4.1.2 Exohedral Functionalization of Endohedral Metallofullerenes 84 4.2 Metal Effects on Diels-Alder Cycloaddition Regioselectivity 87 4.2.1 The Diels-Alder Reaction on D3h-C78 and Sc3N, Y3N, Ti2C2 Related EMFs: The Role of Fullerene Strain Energy 87 4.2.2 The Diels-Alder Cycloaddition on Ih-C80 versus D5h-C80 Endohedral M3N (M=Sc, Lu, Gd) Metallofullerenes 93 4.2.3 The Influence of Metal Clusters on the Diels-Alder Regioselectivity of Ih-C80 Endohedral Metallofullerenes 97 4.3 Dispersion Interactions 101 4.3.1 The Importance of the Dispersion Corrections for the Study of Chemical Reactivity in Fullerenes 101 4.3.2 The Diels-Alder Regioselectivity and Different Product Stability of La@C2v-C82 (1,2,3,4,5-Pentamethyl)cyclopentadiene 102 4.4 Conclusions 106 Appendix: Computational Details 108 References 110 Chapter 5 Cubic Silicon Carbide Nanowires 114 5.1 Introduction 115 5.2 Growth Mechanisms of SiC Nanowires Synthesized from Vapour Phase 117 5.2.1 Vapour-Liquid-Solid Growth Mechanism 117 5.2.2 Vapour-Solid-Solid Growth Mechanism 119 5.2.3 Vapour-Solid Growth Mechanism 119 5.3 Substrate Preparation 120 5.3.1 Chemical Cleaning 121 5.3.2 Catalyst Deposition Methods 121 5.3.3 Dewetting 122 5.4 Growth of Silicon Carbide Nanowires 127 5.4.1 Experimental 127 5.4.2 Morphological and Structural Analysis 128 5.5 Growth of Core-Shell Silicon Carbide---Silicon Oxide Nanowires 132 5.5.1 Experimental Procedure 133 5.5.2 Morphological, Structural and Compositional Analysis 133 5.5.3 Optical Properties 139 References 140 Chapter 6 Geometry and Topology of Nanotubes and Nanotori 143 6.1 Introduction 143 6.2 Nanotubes and Nanotori Topological Indices 145 6.3 Symmetry Considerations on Nanotubes and Nanotori 152 6.4 Topology of Nanotubes and Nanotori 153 6.5 Conclusions 162 References 162 Chapter 7 The First and Second Zagreb Indices of Several Interesting Classes of Chemical Graphs and Nanostructures 165 7.1 Introduction 165 7.2 Zagreb Indices of the Bridge Graph B1 166 7.3 Zagreb Indices of the Bridge Graph B2 171 7.4 Zagreb Indices of Chain Graphs 177 7.5 Zagreb Indices of Rooted Product of Graphs 180 References 195 Chapter 8 Exotic Allotropes of Carbon 196 8.1 Introduction 196 8.2 Allotropes of D5 197 8.3 D5 Substructures as Hyper-Graphenes 200 8.4 Omega Polynomial in Nanostructures 204 8.5 Computational Methods 206 8.6 Conclusions 210 References 210 Chapter 9 Web-based Computational Tools Used in Protein Surface Analysis and Characterization. Applications for Protein--Protein and Protein--Ligand Interactions 213 9.1 Introduction 213 9.2 Proteins Surface Analysis and Comparison 215 9.3 Fractal Aspects of Protein Surfaces 224 9.4 Computational Analysis of Protein--Ligand Interactions 226 9.5 Computational Analysis of Protein--Protein Interactions 228 9.6 Conclusion 234 References 235 Chapter 10 Bondonic Chemistry: Physical Origins and Entanglement Prospects 238 10.1 Introduction 239 10.2 Bondons by Dirac Theory of Chemical Field (Putz 2010) 241 10.3 Entangled Chemistry: Objectives 250 10.4 Entangled Chemistry: Methodology 258 10.5 Conclusions 264 References 265 Chapter 11 Bondonic Chemistry: Non-classical Implications on Classical Carbon Systems 270 11.1 Introduction 270 11.2 Chemical Bonding by Nonrelativistic Bondons (Putz 2010a) 271 11.3 Aliphatic Nature of Symmetric and Asymmetric Hydrocarbons 281 11.4 On Aromaticity Character of Organic Compounds (Putz et al. 2010) 292 11.5 On Reducing Character of Mono- and Polyhydroxy Arens 301 11.6 Structure and Reactivity of Aromatic Compounds Involved in Azo Dyes Synthesis 306 11.7 The Kinetics of Thermal and Photochemical Decomposition of Some Aromatic Diazonium Salts 319 11.8 Conclusions 327 References 329 Chapter 12 Bondonic Chemistry: Consecrating Silanes as Metallic Precursors for Silicenes Materials 332 12.1 Introduction 332 12.2 Bondonic Hierarchy of Chemical Bonding (Putz 2010b) 334 12.3 From Sols, Gels, and Sol-Gel Processes to Silanes and Bio-Medicine 339 12.4 Bondons' Observables for Silanes 343 12.5 Conclusions 350 References 351 Chapter 13 Bondonic Chemistry: Predicting Ionic Liquids' (IL) Bondons by Raman-IR Spectra 355 13.1 Introduction: A Survey on IL Challenges 356 13.2 Bondonic Information with Raman Scattering (Putz 2010a) 366 13.3 Polarizability Driving Bondonic IL-Spectra 376 13.4 Conclusions 384 References 385 Chapter 14 Electric Field Effects on Graphene Materials 390 14.1 Introduction 390 14.2 Electrical Field Tuning of the Dielectric Constant 391 14.3 Interlayer Electric Field: Spatial Dependence 393 14.4 Electric Field Damping in Multilayer Systems 393 14.5 Electrostatic Exfoliation on Graphene and MoS2 Layers 396 14.6 Conclusions 397 References 397 Index 399 Front Matter....Pages i-xiv Ode to the Chemical Element Carbon....Pages 1-18 Origami: Self Organizing Polyhexagonal Carbon Structures for Formation of Fullerenes, Nanotubes and Other Carbon Structures....Pages 19-32 Collective Excitations in Monolayer Graphene on Metals: Phonons and Plasmons....Pages 33-66 Understanding the Exohedral Functionalization of Endohedral Metallofullerenes Metallofullerenes ....Pages 67-99 Cubic Silicon Carbide Nanowires....Pages 101-129 Geometry and Topology of Nanotubes and Nanotori....Pages 131-152 The First and Second Zagreb Indices of Several Interesting Classes of Chemical Graphs and Nanostructures....Pages 153-183 Exotic Allotropes of Carbon....Pages 185-201 Web-based Computational Tools Used in Protein Surface Analysis and Characterization. Applications for Protein–Protein and Protein–Ligand Interactions....Pages 203-227 Bondonic Chemistry: Physical Origins and Entanglement Prospects....Pages 229-260 Bondonic Chemistry: Non-classical Implications on Classical Carbon Systems....Pages 261-322 Bondonic Chemistry: Consecrating Silanes as Metallic Precursors for Silicenes Materials....Pages 323-345 Bondonic Chemistry: Predicting Ionic Liquids’ (IL) Bondons by Raman-IR Spectra....Pages 347-381 Electric Field Effects on Graphene Materials....Pages 383-391 Back Matter....Pages 393-394