International Journal of Science and Research (IJSR)

International Journal of Science and Research (IJSR)
www.ijsr.net | Most Trusted Research Journal Since Year 2012

ISSN: 2319-7064

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

97 PDF Views | 55 PDF Downloads

Download Article PDF



Similar Articles with Keyword 'Solution Growth'

Research Paper, Physics Science, India, Volume 4 Issue 4, April 2015

Pages: 2933 - 2936

Studies on Thermal, Microhardness and Di-Electric Properties of Glycine Copper Chloride

S. Sudha, M. Suresh, K. Suresh

Share this article

Research Paper, Physics Science, India, Volume 3 Issue 12, December 2014

Pages: 2602 - 2608

Growth, Optical, Mechanical and Dielectric Properties of Potassium Tetraborate Tetrahydrate Single Crystal

S. Sathiskumar, T. Balakrishnan, K. Ramamurthi

Share this article

Research Paper, Physics Science, India, Volume 3 Issue 10, October 2014

Pages: 1303 - 1305

Growth, Spectroscopic and Optical Studies of meta-Nitro Aniline NLO Organic Crystal

Shobha Kulshrestha, A.K. Shrivastava

Share this article

Research Paper, Physics Science, India, Volume 5 Issue 12, December 2016

Pages: 349 - 353

Synthesis, Growth and Characterization of Pure and Metal Doped L-Histidine Bromide (LHB) Single Crystals

S. E. Joema

Share this article

Research Paper, Physics Science, India, Volume 8 Issue 5, May 2019

Pages: 403 - 408

DFT on Rhodamine B Doped BIS Thiourea Cadmium Chloride (BTCC) Crystals for Nonlinear Optical Applications - A New Approach

M. Kalaiselvan, P. Kumaresan

Share this article

Similar Articles with Keyword 'DFT'

Research Paper, Physics Science, Iraq, Volume 4 Issue 1, January 2015

Pages: 2334 - 2339

Density Functional Theory Investigation of the Physical Properties of Dicyano Pyridazine Molecules

Fouad N. Ajeel, Alaa M. khudhair, Anees A. Mohammed

Share this article

Research Paper, Physics Science, Iraq, Volume 4 Issue 4, April 2015

Pages: 1663 - 1668

Density Functional Theory investigation for Sodium atom on Copper Clusters

Falah Hassan; Batool Daraam; Abbas Shwya

Share this article

Research Proposals or Synopsis, Physics Science, India, Volume 5 Issue 8, August 2016

Pages: 1634 - 1644

Vibrational Spectra and Structural Properties of 2,2,6,6-Tetramethyl Piperidone by Density Functional Theory

G. Mahalakshmi, K. Revathi, V. Balachandran

Share this article

Research Paper, Physics Science, India, Volume 6 Issue 9, September 2017

Pages: 1635 - 1639

Theoretical Study of (RS) - (4-fluorophenyl) (pyridine-2yl) methanol using Density Functional Theory

Sanjeev Kumar Trivedi, C. K. Dixit

Share this article

Research Paper, Physics Science, India, Volume 7 Issue 9, September 2018

Pages: 1144 - 1149

FT-Raman and FTIR Spectroscopic Investigation, First Hyper Polarizability, Homo-Lumo Analysis of P-Fluorobenzonitrile (PFBN)

S. Aslin, D. Usha, M.Amalnathan

Share this article

Top