Ab initio defect based model for laser light generation and color image formation at the flat, edge and corner surfaces of AgBr: FA1:CsC and FA2:LiC
Journal of Molecular Structure: THEOCHEM 755 (2005) 221–228 • 2005
معلومات البحث
المؤلفون
A.S. Shalabi a,*, M.A. Kamel b, H.Y. Ammar b, W.S. Abdel Halim c, S. Abdl Aal d
الكلمات المفتاحية
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المجلة العلمية
Journal of Molecular Structure: THEOCHEM 755 (2005) 221–228
الناشر
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المجلد
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العدد
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الصفحات
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publication.type
International
رابط البحث
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المواد المرفقة
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الملخص
The FA1:CsC and FA2:LiC color centers at the flat, edge and corner surfaces of AgBr play important roles in laser light generation and color
image formation. These two applications are investigated simultaneously by using quantum mechanical ab initio methods. As far as laser light
generation is concerned, the calculated Stokes shifts suggest that laser activity is sensitive to the simultaneous effects of the vibrational coupling
mode, the impurity cation, the coordination number of the surface ion, and the choice of the basis set centered on the anion vacancy. The FA1:CsC
and FA2:LiC color centers are suitable laser defects. The dependence of orientational destruction, recording sensitivity and exciton (energy)
transfer on the impurity cation and the coordination number of the surface ion is clarified. The Glasner–Tompkins empirical rule is generalized to
include the impurity cation and the coordination number of the surface ion. As far as color image formation is concerned, the supersensitizer was
found to increase the sensitizing capabilities of two primary dyes in the excited states. Color image formation was found to be sensitive to the
coordination number of the surface ion and the type of the impurity cation. On the basis of quasi Fermi levels, the difference in the sensitizing
capabilities between the examined dyes in the excited states was determined.
image formation. These two applications are investigated simultaneously by using quantum mechanical ab initio methods. As far as laser light
generation is concerned, the calculated Stokes shifts suggest that laser activity is sensitive to the simultaneous effects of the vibrational coupling
mode, the impurity cation, the coordination number of the surface ion, and the choice of the basis set centered on the anion vacancy. The FA1:CsC
and FA2:LiC color centers are suitable laser defects. The dependence of orientational destruction, recording sensitivity and exciton (energy)
transfer on the impurity cation and the coordination number of the surface ion is clarified. The Glasner–Tompkins empirical rule is generalized to
include the impurity cation and the coordination number of the surface ion. As far as color image formation is concerned, the supersensitizer was
found to increase the sensitizing capabilities of two primary dyes in the excited states. Color image formation was found to be sensitive to the
coordination number of the surface ion and the type of the impurity cation. On the basis of quasi Fermi levels, the difference in the sensitizing
capabilities between the examined dyes in the excited states was determined.
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