Research Paper | Physics Science | India | Volume 8 Issue 5, May 2019
DFT on Rhodamine B Doped BIS Thiourea Cadmium Chloride (BTCC) Crystals for Nonlinear Optical Applications - A New Approach
M. Kalaiselvan, P. Kumaresan
The stability of Bis Thiourea Cadmium Chloride (BTCC) single crystal was improved by doping Rhodamine B. The stability and charge delocalization of the molecule were also studied by natural bond orbital (NBO) analysis. The HOMO-LUMO energies describe the charge transfer takes place within the molecule. Molecular electrostatic potential has been analyzed. The developments try in extensive scale with this enhanced pH qualities is required to yield mass crystal appropriate for laser combination tests and SHG device applications. The optical, DFT studies and non-linear optical properties of the dye doped crystals were analyzed.
Keywords: Solution Growth, BTCC crystals, DFT, Homo- Lumo Studies, SHG measurements
Edition: Volume 8 Issue 5, May 2019
Pages: 403 - 408
How to Cite this Article?
M. Kalaiselvan, P. Kumaresan, "DFT on Rhodamine B Doped BIS Thiourea Cadmium Chloride (BTCC) Crystals for Nonlinear Optical Applications - A New Approach", International Journal of Science and Research (IJSR), https://www.ijsr.net/search_index_results_paperid.php?id=ART20197693, Volume 8 Issue 5, May 2019, 403 - 408
133 PDF Views | 82 PDF Downloads
Similar Articles with Keyword 'Solution Growth'
Research Paper, Physics Science, India, Volume 3 Issue 12, December 2014
Pages: 2602 - 2608Growth, Optical, Mechanical and Dielectric Properties of Potassium Tetraborate Tetrahydrate Single Crystal
S. Sathiskumar, T. Balakrishnan, K. Ramamurthi
Research Paper, Physics Science, India, Volume 3 Issue 10, October 2014
Pages: 1303 - 1305Growth, Spectroscopic and Optical Studies of meta-Nitro Aniline NLO Organic Crystal
Shobha Kulshrestha, A.K. Shrivastava
Research Paper, Physics Science, India, Volume 4 Issue 4, April 2015
Pages: 2933 - 2936Studies on Thermal, Microhardness and Di-Electric Properties of Glycine Copper Chloride
S. Sudha, M. Suresh, K. Suresh
Research Paper, Physics Science, India, Volume 5 Issue 12, December 2016
Pages: 349 - 353Synthesis, Growth and Characterization of Pure and Metal Doped L-Histidine Bromide (LHB) Single Crystals
S. E. Joema
Research Paper, Physics Science, India, Volume 8 Issue 5, May 2019
Pages: 403 - 408DFT on Rhodamine B Doped BIS Thiourea Cadmium Chloride (BTCC) Crystals for Nonlinear Optical Applications - A New Approach
M. Kalaiselvan, P. Kumaresan
Similar Articles with Keyword 'DFT'
Research Paper, Physics Science, India, Volume 7 Issue 4, April 2018
Pages: 1146 - 1160Combined Spectroscopic and DFT Studies of Pyridoxine
R. Padmavathi, S. Gunasekaran, B. Rajamannan
Research Paper, Physics Science, India, Volume 6 Issue 11, November 2017
Pages: 2256 - 2269Quantum Chemical Calculations and Experimental Studies on 2(2, 3-dimethylphenyl) Amino Benzoic Acid
R. Padmavathi, S. Gunasekaran, B. Rajamannan, G. R. Ramkumar, G. Sankari, S. Muthu
Research Paper, Physics Science, Iraq, Volume 4 Issue 1, January 2015
Pages: 2334 - 2339Density Functional Theory Investigation of the Physical Properties of Dicyano Pyridazine Molecules
Fouad N. Ajeel, Alaa M. khudhair, Anees A. Mohammed
Research Proposals or Synopsis, Physics Science, India, Volume 5 Issue 8, August 2016
Pages: 1634 - 1644Vibrational Spectra and Structural Properties of 2,2,6,6-Tetramethyl Piperidone by Density Functional Theory
G. Mahalakshmi, K. Revathi, V. Balachandran
Research Paper, Physics Science, India, Volume 7 Issue 9, September 2018
Pages: 1144 - 1149FT-Raman and FTIR Spectroscopic Investigation, First Hyper Polarizability, Homo-Lumo Analysis of P-Fluorobenzonitrile (PFBN)
S. Aslin, D. Usha, M.Amalnathan