Detection of Local Density Distribution of Isolated Silanol Groups on Planar Silica Surfaces Using Nonlinear Optical Molecular Probes

1998 ◽  
Vol 70 (22) ◽  
pp. 4730-4735 ◽  
Author(s):  
Ying Dong ◽  
Sastry V. Pappu ◽  
Zhi Xu
Keyword(s):  
Density Distribution ◽  
Nonlinear Optical ◽  
Local Density ◽  
Molecular Probes ◽  
Silanol Groups ◽  
Silica Surfaces

Molecular probes for nonlinear optical imaging of biological membranes

2001 ◽  
Author(s):  
Mireille H. Blanchard-Desce ◽  
Lionel Ventelon ◽  
Sandrine Charier ◽  
Laurent Moreaux ◽  
Jerome Mertz
Keyword(s):  
Optical Imaging ◽  
Nonlinear Optical ◽  
Biological Membranes ◽  
Molecular Probes ◽  
Nonlinear Optical Imaging

scholarly journals Clean chlorination of silica surfaces by a single-site substitution approach

2018 ◽  
Vol 47 (12) ◽  
pp. 4301-4306 ◽  
Author(s):  
Niladri Maity ◽  
Samir Barman ◽  
Edy Abou-Hamad ◽  
Valerio D'Elia ◽  
Jean-Marie Basset
Keyword(s):  
Silica Surface ◽  
Single Site ◽  
Silanol Groups ◽  
Silica Surfaces ◽  
Selective Chlorination ◽  
Hydrogen Bonded

Unveiling a clean, selective chlorination method for the quantitative substitution of well-defined non-hydrogen bonded silanol groups of the silica surface.

FIRST-PRINCIPLES STUDY OF THE ELECTRONIC, LINEAR, AND NONLINEAR OPTICAL PROPERTIES OF Li(Nb, Ta)O3

2010 ◽  
Vol 24 (32) ◽  
pp. 6277-6290 ◽  
Author(s):  
SULEYMAN CABUK
Keyword(s):  
First Principles ◽  
Density Functional ◽  
Nonlinear Optical ◽  
Energy Gap ◽  
Local Density ◽  
Theoretical Calculations ◽  
Total Density ◽  
Functional Theory ◽  
Experimental Values ◽  
Electron Energy Loss

We investigate the energy band structure, total density of states, the linear, nonlinear optical (NLO) response, and the electron energy-loss spectrum for Li(Nb, Ta)O 3 using first principles calculations based on density functional theory in its local density approximation. Our calculation shows that these compounds have similar structures. The indirect band gaps of 3.39 eV (LiNbO3) and 3.84 eV (LiTaO3) at the Γ–Z direction in the Brillouin zone are found. A simple scissor approximation is applied to adjust the band energy gap from the calculations to match the experimental values. The optical spectra are analyzed and the origins of some of the peaks in the spectra are discussed in terms of calculated electronic structure. Calculations are reported for the frequency-dependent complex second-order NLO susceptibilities [Formula: see text] up to 10 eV and for zero-frequency limit [Formula: see text]. The results are compared with the theoretical calculations and the available experimental data.

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