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Contents
2.2 Size of Nanominerals and Mineral Nanoparticles 47
2.3 Characterization 49
2.3.1 High-Resolution Imaging Techniques 51
2.3.2 Compositional Analysis 55
2.3.3 Structure 56
2.3.4 Size 57
2.3.5 Fractionation and Separation 61
2.3.6 Surface Chemistry 62
2.3.7 Mössbauer Spectroscopy and Magnetic
Characterization 62
2.4 Concluding Remarks 63
3. Nanostructures of Natural Iron Oxide Nanoparticles 75
Hiromi Konishi, Huifang Xu, and Haibo Guo
3.1 Introduction 75
3.2 Ferrihydrite Nanomineral 77
3.2.1 Structure, Composition, and Morphology 77
3.2.2 Abiotic Ferrihydrite 80
3.2.3 Biotic Ferrihydrite 81
3.2.4 Extraterrestrial Ferrihydrite 85
3.3 Goethite 86
3.4 Other Iron Oxide Nanoparticles 91
3.4.1 Hematite 91
3.4.2 Magnetite and Maghemite 93
3.4.3 Schwertmannite and Akaganéite 99
3.5 Concluding Remarks 101
4. Thermodynamic Modelling of FeS 2 115
Salvy P. Russo and Andrew Hung
4.1 Introduction 115
4.2 Electronic Structure Calculations of Periodic
and Nanoscale Systems 118
4.3 Thermodynamic Modelling 120
4.3.1 Calculation of Free Energies Using the
Harmonic Approximation 121
4.3.2 Thermodynamic Integration 122