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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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Figure 10; Table 5; 127 refs; Updated: 4 June 2005

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Synthesis, Properties, and Applications of Oxide Nanomaterials

Jos¨¦ A. Rodriguez (Editor), Marcos Fern¨¢ndez-Garc¨ªa (Editor)
ISBN: 978-0-471-72405-6
Hardcover
717 pages
March 2007


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