Free download Nanomaterials and Nanochemistry by M Lahmani

Authors of:  Nanomaterials and Nanochemistry by M Lahmani

C. Br´echignac

P. Houdy

M. Lahmani

Table of Contents in Nanomaterials and Nanochemistry by M Lahmani

Part I Basic Principles and Fundamental Properties  

1 Size Effects on Structure and Morphology of Free or Supported Nanoparticles  

C. Henry  

1.1 Size and Confinement Effects  

1.1.1 Introduction  

1.1.2 Fraction of Surface Atoms  

1.1.3 Specific Surface Energy and Surface Stress  

1.1.4 Effect on the Lattice Parameter  

1.1.5 Effect on the Phonon Density of States  

1.2 Nanoparticle Morphology  

1.2.1 Equilibrium Shape of a Macroscopic Crystal  

1.2.2 Equilibrium Shape of Nanometric Crystals  

1.2.3 Morphology of Supported Particles  

References  

2 Structure and Phase Transitions in Nanocrystals  

J.-C. Niepce, L. Pizzagalli  

2.1 Introduction  

2.2 Crystalline Phase Transitions in Nanocrystals  

2.2.1 Phase Transitions and Grain Size Dependence  

2.2.2 Elementary Thermodynamics of the Grain Size Dependence of Phase Transitions  

2.2.3 Influence of the Surface or Interface on Nanocrystals  

2.2.4 Modification of Transition Barriers  

2.3 Geometric Evolution of the Lattice in Nanocrystals  

2.3.1 Grain Size Dependence  

2.3.2 Theory  

2.3.3 Influence of the Nanocrystal Surface or Interface on the Lattice Parameter  

2.3.4 Is There a Continuous Variation of the Crystal State Within Nanocrystals?  

References  

3 Thermodynamics and Solid–Liquid Transitions  

P. Labastie, F. Calvo  

3.1 Size Dependence of the Solid–Liquid Transition  

3.1.1 From the Macroscopic to the Nanometric  

3.1.2 From Nanoparticles to Molecules  

3.2 Thermodynamics of Very Small Systems  

3.2.1 General Considerations  

3.2.2 Non-Equivalence of the Gibbs Ensembles  

3.2.3 Dynamically Coexisting Phases  

3.2.4 Stability of an Isolated Particle. Thermodynamic Equilibrium  

3.3 Evaporation: Consequences and Observations  

3.3.1 Statistical Theories of Evaporation  

3.3.2 Link with the Solid–Liquid Transition. Numerical Results  

3.3.3 Experimental Investigation of Evaporation  

3.3.4 Beyond Unimolecular Evaporation  

3.3.5 Toward the Liquid–Gas Transition  

References  

4 Modelling and Simulating the Dynamics of Nano-Objects  

A. Pimpinelli  

4.1 Introduction  

4.2 Free Clusters of Atoms. Molecular Dynamics Simulations  

4.3 Evolution of Free and Supported Nanoclusters Toward Equilibrium. Kinetic Monte Carlo Simulations  

References  

Part II Physical and Chemical Properties on the Nanoscale  

5 Magnetism in Nanomaterials  

D. Givord  

5.1 Introduction  

5.2 Magnetism in Matter  

5.2.1 Magnetic Moment  

5.2.2 Magnetic Order  

5.2.3 Magnetocrystalline Anisotropy  

5.3 Magnetisation Process and Magnetic Materials  

5.3.1 Energy of the Demagnetising Field. Domains and Walls  

5.3.2 The Magnetisation Process  

5.3.3 Magnetic Materials  

5.4 Magnetism in Small Systems  

5.4.1 Magnetic Moments in Clusters  

5.4.2 Magnetic Order in Nanoparticles  

5.4.3 Magnetic Anisotropy in Clusters and Nanoparticles  

5.5 Magnetostatics and Magnetisation Processes in Nanoparticles  

5.5.1 Single-Domain Magnetic Particles  

5.5.2 Thermal Activation and Superparamagnetism  

5.5.3 Coherent Rotation in Nanoparticles  

5.5.4 From Thermal Activation to the Macroscopic Tunnel Effect  

5.6 Magnetism in Coupled Nanosystems  

5.6.1 Exchange-Coupled Nanocrystals. Ultrasoft Materials and Enhanced Remanence  

5.6.2 Coercivity in Nanocomposites  

5.6.3 Exchange Bias in Systems of Ferromagnetic Nanoparticles Coupled with an Antiferromagnetic Matrix  

References  

6 Electronic Structure in Clusters and Nanoparticles  

F. Spiegelman  

6.1 Introduction  

6.2 Liquid-Drop Model  

6.3 Methods for Calculating Electronic Structure  

6.3.1 Born–Oppenheimer Approximation. Surface Potential  

6.3.2 Ab Initio Calculation of Electronic Structure  

6.3.3 Density Functional Theory  

6.3.4 Charge Analysis  

6.3.5 Approximate and Semi-Empirical Descriptions  

6.3.6 Energy Bands and Densities of States  

6.4 Applications to Some Typical Examples  

6.4.1 Metallic Nanoparticles  

6.4.2 Molecular Clusters  

6.4.3 Ionic and Ionocovalent Clusters  

6.4.4 Covalent Systems  

6.5 Valence Changes  

6.5.1 Transitions with Size  

6.5.2 Transitions with Stoichiometry  

6.6 Nanotubes  

6.7 Prospects  

References  

7 Optical Properties of Metallic Nanoparticles  

F. Vallée  

7.1 Optical Response for Free Clusters and Composite Materials  

7.2 Optical Response in the Quasi-Static Approximation: Nanospheres  

7.3 Dielectric Constant of a Metal: Nanometric Size Effect  

7.4 Surface Plasmon Resonance in the Quasi-Static Approximation: Nanospheres  

7.5 Surface Plasmon Resonance: Quantum Effects for Small Sizes (D < 5 nm)  

7.6 General Case for Nanospheres: The Mie Model  

7.7 Non-Spherical or Inhomogeneous Nanoparticles in the Quasi-Static Model  

7.7.1 Shape Effects: Ellipsoids  

7.7.2 Structure Effects: Core–Shell System  

7.8 Optical Response of a Single Metal Nanoparticle  

7.9 Electromagnetic Field Enhancement: Applications  

7.9.1 Nonlinear Optical Response  

7.9.2 Time-Resolved Spectroscopy  

7.9.3 Local Enhancement of Raman Scattering: SERS  

7.10 Conclusion  

References  

8 Mechanical and Nanomechanical Properties  

C. Tromas, M. Verdier, M. Fivel, P. Aubert, S. Labdi, Z.-Q. Feng, M. Zei, P. Joli  

8.1 Macroscopic Mechanical Properties  

8.1.1 Introduction  

8.1.2 Elastic Properties  

8.1.3 Hardness  

8.1.4 Ductility  

8.1.5 Numerical Modelling  

8.2 Nanomechanical Properties  

8.2.1 Experimentation  

8.2.2 Computer Modelling  

References  

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