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ÒÑËÑË÷£¬ÎÞÖØ¸´ Book: Oxide Nanomaterials, John Wiley & Sons, in press. Figure 10; Table 5; 127 refs; Updated: 4 June 2005 Chapter 1 Theory of size, confinement, and oxidation effects Chang Q. Sun∗ School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798 and Institute of Advanced Materials Physics and Faculty of Science, Tianjin University, 300072, P. R. China Chapter 1 Theory of size, confinement, and oxidation effects ...................1 I Introduction ...............................................................................................2 2 Effects of size and confinement ................................................................5 2.1 Basic concepts...........................................................................................................5 2.1.1 Intraatomic trapping of an isolated atom ............................................................. 5 2.1.2 Interatomic bonding and intercluster coupling .................................................... 5 2.1.3 Hamiltonian and energy band .............................................................................. 6 2.1.4 Atomic cohesive energy and thermal stability..................................................... 7 2.2 Surface boundary effect...........................................................................................8 2.2.1 Barrier confinement vs. quntum uncertainty........................................................ 8 2.2.2 Atomic CN reduction........................................................................................... 9 2.3 Surface-to-volume ratio...........................................................................................9 2.4 Bond order-length-strength (BOLS) correlation ................................................10 2.4.1 Bond order-length correlation............................................................................ 10 2.4.2 Bond length-strength correlation ....................................................................... 11 2.4.3 Densification of mass, charge, and energy ........................................................ 13 2.5 Shape-and-size dependency...................................................................................13 2.5.1 Scaling relation .................................................................................................. 13 2.5.2 Cohesive energy modification ........................................................................... 14 2.5.3 Hamiltonian perturbation................................................................................... 15 2.5.4 Electron-phonon coupling.................................................................................. 16 2.5.5 Mechanical strength........................................................................................... 17 2.6 Summary.................................................................................................................18 3 Effect of oxidation ...................................................................................21 3.1 Bond-band-barrier (BBB) correlation .................................................................21 3.2 Experimental evidence...........................................................................................22 3.2.1 Surface potential barrier and bond geometry ..................................................... 22 3.2.2 Valence density of states.................................................................................... 23 3.2.3 Lone pair interaction.......................................................................................... 24 3.2.4 Bond forming kinetics ....................................................................................... 25 3.3 Summary.................................................................................................................25 4 Conclusion ...............................................................................................26 References .......................................................................................................36 [ Last edited by ·ÉÑ©ÒÁÈË on 2007-8-23 at 16:29 ] |
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