Nonregular Nanosystems (eBook)

Preface 5
Contents 9
Chapter 1: Introduction to Non-regular Nanosystems 15
2: General Approach to the Description of Fundamental Properties of Disordered Nanosized Media 20
2.1 Introduction 20
2.2 Correlation of Atomic and Electronic Structures 23
2.3 Order and Disorder 26
2.4 Concepts of Modelling Atomic Nanostructures 31
2.5 Concepts of Nanoporous and Nanocomposite Materials 35
2.5.1 Nanoporous Materials 36
2.5.2 Aerogels 38
2.5.3 Nanocomposites 39
2.6 Scaling in Functional Nanomedia 39
2.7 Concluding Remarks 41
References 42
3: Potentials and Electronic Structure Calculations of Non-regular Nanosystems 45
3.1 Introduction 45
3.2 Atomic Potential Functions 45
3.2.1 Construction of Atomic Potential Functions 46
3.3 `Crystalline´ Potentials 51
3.4 Potentials of Charged Defects 53
3.5 Electronic Structure and Total Energy: Atoms, Molecules and Nanoclusters 56
3.6 Interatomic Interaction Potentials and Force Calculations 61
3.7 Multiple Scattering Theory and Effective Media Approach 62
3.7.1 Methods of Electronic Structure Calculation of Non-regular Condensed Materials 63
3.7.2 Non-regular Condensed Medium: `Liquid Metal´ Model 66
3.7.3 A Model of a Non-regular Material in the Cluster Approach 71
3.7.4 Scattering on the General Type Potential 72
3.8 Monoatomic Nanosystems: Nano-Si, Nano-Se 74
3.8.1 Production of Nanosilicon 74
3.8.1.1 Nanosilicon Applications 75
3.8.1.2 Other Nanosilicon Applications 75
3.8.2 Nanosilicon: Calculations of Electronic Structure 76
3.8.3 Selenium Versus Nano-selenium 78
3.8.3.1 General Se Applications 79
3.8.3.2 Nano-selenium in the Environment 79
3.8.3.3 Health Effects of Nano-selenium 80
3.8.4 Nano-selenium: Calculations of Electronic Structure 80
3.9 Nanocompounds: Nanochalcogenides 81
3.9.1 Binary and Ternary Chalcogenide Glassy Systems 83
References 86
4: Scattering Processes in Nanocarbon-Based Nanointerconnects 89
4.1 Non-regularities in Nanointerconnects 90
4.1.1 Scattering Processes in Nanocarbon-Based Nanointerconnects 92
4.2 Electronic Structure Calculations of Nanocarbon-Based Interfaces 93
4.3 Electromagnetics of CNT and Graphene-Based Systems 98
4.3.1 `Liquid Metal´ Model for CNT-Metal Junction: CNT-Ni case 98
4.3.2 Model of `Effective Bonds´ for Simulations of CNT-Me and GNR-Me Junctions 100
4.3.3 SWCNT and SL and ML GNR Simulations 101
4.3.4 Parametric Calculations of CNT-Me Interconnect Resistances 108
4.3.5 Resistance MWCNT-Me Junctions 108
4.3.6 Current Loss Between the Adjacent Shells Inside the MWCNT 112
4.3.7 Resistances and Capacitances of SL GNR-Me, ML GNR-Me Interconnects 118
4.3.8 Frequency Properties of CNT-Me and GNR-Me Interconnects 119
4.3.9 Concluding Remarks 122
References 124
5: Surface Nanophysics: Macro-, Meso-, Micro- and Nano-approaches 126
5.1 Surface: Thermodynamics, Anisotropy 126
5.2 Physical and Chemical Adsorption, Adsorption Kinetics 131
5.3 Gibbs Adsorption Isotherms 137
5.4 Hydrogen Adsorption 143
5.5 Electronic Structure of Surface 144
5.6 Surface Plasmon Resonance 151
5.7 Interaction of Light and Nanoparticle 152
5.8 Nanoshells 155
5.9 Organic-Nonorganic Interfaces 156
References 156
6: Classification and Operating Principles of Nanodevices 158
6.1 Classification 158
6.1.1 Correlations of the Fundamental Properties of Non-regular Materials 158
6.1.2 Nanosensoring Paradigm 161
6.2 Physical Nanosensors 163
6.3 Chemical Nanosensors 174
6.4 Bio-nanosensors 176
6.5 Memory Nanodevices 178
6.6 Biomolecular Rotary Machines 188
6.7 Nanotransducers 189
6.7.1 Optical Nanotransducers 191
6.7.2 Mechanical Nanotransducers 193
6.7.3 Electrochemical Nanotransducers 193
6.7.4 Magnetic Nanotransducers 196
6.8 Nanoaerogels and Nanofoams 198
6.8.1 Introduction to Aerogels 198
6.8.2 Aerogels Forms and Characterization 200
6.8.3 Aerogels Commercialization 202
6.8.4 Functionalization 203
6.9 Biocomposites 204
6.9.1 Biocomposite Concepts and Definitions 204
6.9.2 Bio-nanocomposites from Renewable Resources 204
6.9.3 Bio-nanocomposite Applications 208
References 210
7: CNT and Graphene Growth: Growing, Quality Control, Thermal Expansion and Chiral Dispersion 218
7.1 The Iijima Method for Growing CNTs and Graphene 218
7.1.1 Arc Discharge 218
7.1.2 Purification 220
7.2 Arc Discharge and Induced Non-regularities 221
7.3 Laser Ablation and Self-Organization of Matter 223
7.3.1 Laser Ablation 223
7.3.2 Chemical Vapour Deposition 225
7.4 Simulations of Growth: Sporadic and Stimulated 226
7.4.1 CNT Growth Mechanism 226
7.4.2 The Tip-Growth Mechanism 227
7.4.3 The Base-Growth Mechanism 227
7.4.4 Several Control Strategies 229
7.4.5 Quality Control 230
7.5 Graphene Growth and Technological Defects 232
7.5.1 Defects in Graphene 233
7.6 Simulation of Magnetically Stimulated CVD CNT Growth 235
7.6.1 Research Motivation 236
7.6.2 CNT Growth in the Chemical Vapour Deposition Process Based on Metal Nanoparticles 239
7.6.3 CVD Process Analysis 240
7.6.4 Advantages of CVD 242
7.6.5 CNT Precursors 244
7.6.6 CNT Growth Control 244
7.6.7 Magnetically Stimulated CNT CVD Growth on Fe-Pt Catalysts 246
7.6.8 Effective Bonds Model for CNT-Fe-Pt Interconnect Electromagnetic Properties 246
7.6.9 CNT-FexPt1-x Interconnect Formation 248
7.6.10 Magnetic Properties of Fe-Pt Alloys 251
7.6.11 Magnetically Stimulated CNT Growth 252
7.6.12 Model of CVD CNT Growth with the Probabilistically Predefined Morphology 254
References 256
8: Graphene, Fullerenes, Carbon Nanotubes: Electronic Subsystem 263
8.1 Carbon: Allotropic Forms 263
8.2 Carbon Derivatives: Formation of Electronic System 273
8.3 Graphene Electronic Structure 275
8.4 Pi-Zones for Nanotubes (n,0), Nanotubes (n,n) 278
8.5 Nanotubes: Electronic Angular Momentum and Spin-Dependent Properties 282
8.6 Nanotubes of the Metal Type and of the Semiconductor Type 284
8.7 Chemistry of Nanotubes: Catalysis and Toxicity 286
8.8 The Influence of Defects on Electrical, Mechanical and Thermal Properties of Graphene 289
8.9 Defected Nanocarbon Systems 290
References 292
9: Spintronics and Nanomemory Systems 297
9.1 Spin Transport Fundamentals 297
9.2 Magnetoresistance Nanodevices 300
9.2.1 Spin Valve Concepts 300
9.2.2 Spintronic Device Descriptions 302
9.3 Magnetic Disorder and Spin Transport 303
9.3.1 Magnetic Disorder in Fe-Pt Nanodrops 304
9.3.1.1 Diluted Ferromagnets with the Nearest Neighbour Interaction 304
9.3.1.2 Bethe Lattice of the Spin System 307
9.3.1.3 Spin Waves 308
9.3.1.4 Spin Injection and Detection 310
9.3.1.5 Spin Precession 313
9.3.1.6 Spin Relaxation 314
9.4 Concluding Remarks 315
References 315
10: Nanosensor Systems Simulations 318
10.1 Physical and Chemical Nanosensors 319
10.1.1 Conductivity as a Tool of Nanosensor Systems 319
10.2 Bio-nanosensors: Polymer Nanoporous Model Structures 324
10.2.1 Biosensor Model Testing and Experimental Results 325
10.3 Nanocomposite-Based Nanosensoring Devices 329
10.3.1 Real-Time Polymer Nanocomposite-Based Physical Nanosensors 329
10.3.1.1 Methods and Models 329
10.3.1.2 Conductivity Mechanisms 331
10.3.2 Models of CNT- and GNR-Based Nanocomposites 333
10.3.3 Simulation of Stress- and Temperature-Induced Resistance of Carbon-Based Nanocomposite Sensors: Results and Discussions 336
10.3.3.1 Modelling and Experimental Results 339
10.4 Concluding Remarks 340
References 342
11: Nanotechnology Application Challenges: Nanomanagement, Nanorisks and Consumer Behaviour 345
11.1 Consumer Insights into Nanotechnology: Introduction to Rational Consumerism and Consumer Behaviour 345
11.2 Nanoscience and Nanotechnology: What Is Special About `Nano´ and Why Should Consumers Be Informed? 347
11.3 Basic Categories of Nanotechnology-Based Consumer Products on the Market and Consumer Awareness 351
11.4 Towards an Open Dialogue with Consumers on the Benefits and Risks of Nanotechnology-Engaged Products 365
11.5 New Technologies and Responsible Scientific Consumption in Constructing Consumer Identity 371
11.6 Knowledge Management as a Means of Social Change: Who Needs Nanotechnology Education? 374
11.7 Convergence of Science, Technology and Society: Nano-Bio-Info-Cogno-Socio-Humanosciences and Technologies - A Way to NBIC... 379
11.8 Global Citizenship Competence: The Vision for Educational Change 384
11.9 Nanochallenges: Nanomanagement, Nanoeducation, Nanothinking and Public Participatory Technology Assessment (pTA) 386
11.9.1 Nanomanagement: Risks Versus Benefits 388
11.9.2 Nanoeducation and the Global Consciousness 391
11.9.3 Nanothinking as an Educational Concept of the Twenty-First Century 393
11.9.4 Public Participatory Technology Assessment (pTA) in Risk Management 395
11.10 Concluding Remarks 397
References 400
Index 404