Chapter 7 Point Defects on the Silica Surface: Structure and Reactivity

作者: V.A. Radzig

DOI: 10.1016/S1079-4050(06)34007-0

关键词: Chemical physicsReactivity (chemistry)Spectral propertiesSurface structureMaterials scienceReactive intermediateCrystallographic defectPoint (geometry)ParamagnetismSurface (mathematics)Computational chemistry

摘要: Publisher Summary This chapter discusses the physico-chemical processes that occur on surface of very important material—silica. Indeed, from one hand, a set practically reactions occurs silica surface. From another this could be considered as model, and experimental data obtained for such model system can compared with theoretical results used planning new experiments. The also describes methods generating point defects, quantum-chemical modeling properties (optical, IR, ESR) defects surface, inhomogeneity stabilized comparison spectral bulk in silica, mechanisms defect rearrangement, design reactive intermediates desired structure structure, spectral, dia- paramagnetic characteristics is considered.

参考文章(70)
E. K. U. Gross, J. F. Dobson, M. Petersilka, DENSITY FUNCTIONAL THEORY OF TIME-DEPENDENT PHENOMENA Topics in Current Chemistry. ,vol. 181, pp. 81- 172 ,(1996) , 10.1007/BFB0016643
L. Skuja, OPTICAL PROPERTIES OF DEFECTS IN SILICA Springer, Dordrecht. pp. 73- 116 ,(2000) , 10.1007/978-94-010-0944-7_3
V.A. RADZIG, DEFECTS ON ACTIVATED SILICA SURFACE Springer, Dordrecht. pp. 339- 370 ,(2000) , 10.1007/978-94-010-0944-7_12
David L. Griscom, THE NATURES OF POINT DEFECTS IN AMORPHOUS SILICON DIOXIDE Springer, Dordrecht. pp. 117- 159 ,(2000) , 10.1007/978-94-010-0944-7_4
Randolph C Wilhoit, Jing Chao, Kenneth R Hall, None, Thermodynamic Properties of Key Organic Oxygen Compounds in the Carbon Range C1 to C4. Part 1. Properties of Condensed Phases Journal of Physical and Chemical Reference Data. ,vol. 14, pp. 1- 175 ,(1985) , 10.1063/1.555747
B.C. Bunker, D.M. Haaland, K.J. Ward, T.A. Michalske, W.L. Smith, J.S. Binkley, C.F. Melius, C.A. Balfe, Infrared spectra of edge-shared silicate tetrahedra Surface Science. ,vol. 210, pp. 406- 428 ,(1989) , 10.1016/0039-6028(89)90603-1
R. A. WEEKS, C. M. NELSON, Trapped Electrons in Irradiated Quartz and Silica: II, Electron Spin Resonance Journal of the American Ceramic Society. ,vol. 43, pp. 399- 404 ,(1960) , 10.1111/J.1151-2916.1960.TB13682.X
W. Primak, Kinetics of Processes Distributed in Activation Energy Physical Review. ,vol. 100, pp. 1677- 1689 ,(1955) , 10.1103/PHYSREV.100.1677