Conclusion References
15 10 Cluster‐based Materials for Energy Harvesting and Storage 10.1 Introduction 10.2 Cluster‐based Materials for Moisture‐resistant Hybrid Perovskite Solar Cells 10.3 Cluster‐based Materials for Optoelectronic Devices 10.4 Cluster‐based Materials for Solid‐state Electrolytes in Li‐ and Na‐ion Batteries 10.5 Cluster‐based Materials for Hydrogen Storage 10.6 Clusters Promoting Unusual Reactions 10.7 Conclusions References
16 11 Thermal and Thermoelectric Properties of Cluster‐based Materials 11.1 Introduction 11.2 Basic Theory 11.3 Low Lattice Thermal Conductivity of Cluster‐based Materials 11.4 Thermoelectric Properties of some Selected Cluster‐based Materials 11.5 Conclusion References
17 12 Clusters for CO2 Activation and Conversion 12.1 Introduction 12.2 Superalkali Catalysts 12.3 Al‐based Clusters for CO2 Capture 12.4 Ligand‐protected Au25 Clusters for CO2 Conversion 12.5 M@Ag24 Clusters for CO2 Conversion 12.6 Cu‐based Clusters for CO2 Conversion 12.7 Metal Encapsulated Silicon Nanocages for CO2 Conversion 12.8 Summary and Perspectives References
18 13 Conclusions and Future Outlook
19 Index
List of Tables
1 Chapter 2Table 2.1 Examples of ligated clusters with effective number (ne) of valenc...Table 2.2 Electron affinities (in eV) of ground state molecules.Table 2.3 First and second electron affinity (EAs) and vertical detachment ...
2 Chapter 3Table 3.1 The VDEs (in eV) for (NaCl2)−.Table 3.2 The VDEs (in eV) of (BF4 − n R n )− anion...Table 3.3 EAs (in eV) and VDEs (in eV) of neutral and anionic systems conta...Table 3.4 EAs (in eV) and VDEs (in eV) of neutral and anionic polynuclear s...Table 3.5 VDEs predicted for the (H n F n + 1)− (n = 1–5,...Table 3.6 VDEs for the most stable isomers of various polynuclear superhalo...Table 3.7 VDEs (in eV) of superhalogen anions solvated by various number of...
3 Chapter 6Table 6.1 Interfacial structures and theB values (see text) of representati...Table 6.2 Atomic structures of representative Au MPCs.Table 6.3 Atomic structures of representative Ag MPCs.Table 6.4 Atomic structures of representative MAu12 and MAg12 superatoms.Table 6.5 Atomic structures of Au MPCs with oblate superatomic cores.Table 6.6 Atomic structures of Au MPCs with prolate superatomic cores.
4 Chapter 7Table 7.1 Critical diameters and number of electrons for metal clusters when...Table 7.2 The correlation between the electronic structure and binding chara...
5 Chapter 8Table 8.1 Experimental energies (E 0) at the Γ point and effective electron ...Table 8.2 Binding energiesE with respect to C60, inter‐cluster center–center...Table 8.3 The optimized lattice constants (a); binding energies (E b); geome...Table 8.4 Lattice constant (a), the range of Ta‐Si distances (d Ta‐Si)...
6 Chapter 10Table 10.1 Unit cell parameters (a, c, Å), densities ( ρ , g/cm3), bulk...Table 10.2 Vertical detachment energies (VDEs), energies to dissociate the L...Table 10.3 Dissociation energies in lithium salt (ΔE Li1, ΔE Li2) and in mag...Table 10.4 Key information about the cluster ions in the super‐LiRAP family....Table 10.5 The calculated Goldschmidt's tolerance factor,
7 Chapter 11Table 11.1 Thermal and physical properties of SACs at room temperature.
8 Chapter 12Table 12.1 The MP2/6 − 311 + G(d) calculated relative energy (ΔE), binding e...Table 12.2 Adiabatic ionization energies (AIE) in eV, adiabatic electron aff...
List of Illustrations
1 Chapter 1Figure 1.1 Sodium cluster abundance spectrum, (a) experimental data of Knigh...Figure 1.2 Schematic diagram of an atom and atomic orbitals (left panel) whe...Figure 1.3 Series of mass spectra showing progression of the etching reactio...Figure 1.4 Three‐dimensional periodic table with superatoms mimicking the ch...Figure 1.5 Spin polarized electron orbitals of Al atom (left panel) and the ...
2 Chapter 2Figure 2.1 The periodic table of elements.Figure 2.2 Binding‐energy curves of (Na19)2 for two different electronic con...