Brydson, "Bonding in alpha-quartz (SiO2): A view of the unoccupied states", American Mineralogist, Vol. 85, 732-738, 2000Garvie L. and Rez P. (2000) "Bonding in alpha-quartz (SiO2): A view of the unoccupied states" American Mineralogist , 85, 732-738...
Bonding in alpha-quartz (SiO (sub 2) ); a view of the unoccupied states LAJ Garvie,P Rez,JR Alvarez,... 被引量: 30发表: 2000年 Bonding in alpha-quartz (SiO2): A view of the unoccupied states (2000) Bonding in alpha-quartz (SiO2): a view of the unoccupied states. American ...
The constant-volume specific heat, the entropy, the phonon contributions to internal energy and Helmholtz free energy, and the atomic temperature factors of α-quartz and stishovite, two allotropic forms of SiO 2 , are calculated as a function of temperature from ab initio phonon band structures...
An (oxygen)- vacancy model of the E1≈ center in alpha quartz, featuring an asymmetric relaxation of the two silicons adjacent to the oxygen vacancy, is presented and analyzed. This model is shown to be consistent with both theoretical calculations and experimental hyperfine data, in contrast wi...
(quartz ε = 89,000 ± 15,000l−1cm−2), but it varies as a function of structure (coesite ε = 214,000 ± 14,000lmolH2O−1cm−2; stishovite ε = 485,000 ± 109,000lmolH2O−1cm−2). Evaluation of data from this study confirms that not using mineral-specific IR ...
The intrinsic point defects in a-SiO2 have recently received considerable attention. Careful use of paramagnetic resonance, coupled with annealing and optical studies, has led to unambiguous identification of three fundamental defects. These are the E′
We present an ab initio study of SiO(α-quartz) surfaces, amongst which a 2 × 1 reconstruction (similar to diamond surface). In order to fulfill charge neutrality requirements and to avoid the presence of a large dipole moment, the unit cells are formed by stacking O-Si-O layers along ...
Interatomic potentials, which include bond-bending terms, allow us to model accurately the properties of α-quartz and the structures of other polymorphs o... M.,J.,Sanders,... - 《Journal of the Chemical Society》 被引量: 370发表: 1984年 Modeling solid-state chemistry: Interatomic potentials...
To investigate the effect of different materials on CO2 conversion, the material is filled uniformly and flatly in the discharge gap, and the lower end is fixed with quartz wool. The unit is equipped with a circulating water cooling device to control the temperature of the reaction system. The...
(SHOP), SABIC/Linde alpha-SABLIN, DuPont’s Versipol™, IFP AlphaSelect™, and UOP Linear-1™processes1,4,5. Chevron Philips (Gulf) and others utilize similar catalysts under similar reaction conditions6. Such homogeneous catalysts also often require aluminum–alkyl co-catalysts to form ...