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Title: Influence of Al doping on optical properties of CdS/PVA nanocomposites: Theory and experiment

Abstract

In the present work theoretical and experimental studies of aluminium doped cadmium sulphide polyvinyl alcohol (Al:CdS/PVA) nanocomposites have been carried out. Tetrahedral cluster AlCd{sub 9}S{sub 2}(SH){sub 18}]{sup 1−} has been encapsulated by small segments of polyvinyl alcohol (PVA) chains in order to simulate experimental environment of nanocomposites. Density functional theory (DFT) using local density approximation (LDA) functionals is employed to study the broadening of band gap upon ligation of nanoclusters. We have used in situ chemical route to synthesize nanocomposites. Optical band gap has been calculated from both experimental and theoretical approach.

Authors:
;  [1]
  1. Department of Physics, Panjab University, Chandigarh (India)
Publication Date:
OSTI Identifier:
22269486
Resource Type:
Journal Article
Journal Name:
AIP Conference Proceedings
Additional Journal Information:
Journal Volume: 1591; Journal Issue: 1; Conference: 58. DAE solid state physics symposium 2013, Patiala, Punjab (India), 17-21 Dec 2013; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0094-243X
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; 36 MATERIALS SCIENCE; ALUMINIUM COMPOUNDS; APPROXIMATIONS; CADMIUM SULFIDES; COMPOSITE MATERIALS; DENSITY FUNCTIONAL METHOD; DOPED MATERIALS; ELECTRONIC STRUCTURE; ENERGY GAP; NANOSTRUCTURES; OPTICAL PROPERTIES; PVA

Citation Formats

Bala, Vaneeta, Tripathi, S. K., E-mail: vaneetabala@yahoo.com, and Kumar, Ranjan. Influence of Al doping on optical properties of CdS/PVA nanocomposites: Theory and experiment. United States: N. p., 2014. Web. doi:10.1063/1.4872637.
Bala, Vaneeta, Tripathi, S. K., E-mail: vaneetabala@yahoo.com, & Kumar, Ranjan. Influence of Al doping on optical properties of CdS/PVA nanocomposites: Theory and experiment. United States. https://doi.org/10.1063/1.4872637
Bala, Vaneeta, Tripathi, S. K., E-mail: vaneetabala@yahoo.com, and Kumar, Ranjan. 2014. "Influence of Al doping on optical properties of CdS/PVA nanocomposites: Theory and experiment". United States. https://doi.org/10.1063/1.4872637.
@article{osti_22269486,
title = {Influence of Al doping on optical properties of CdS/PVA nanocomposites: Theory and experiment},
author = {Bala, Vaneeta and Tripathi, S. K., E-mail: vaneetabala@yahoo.com and Kumar, Ranjan},
abstractNote = {In the present work theoretical and experimental studies of aluminium doped cadmium sulphide polyvinyl alcohol (Al:CdS/PVA) nanocomposites have been carried out. Tetrahedral cluster AlCd{sub 9}S{sub 2}(SH){sub 18}]{sup 1−} has been encapsulated by small segments of polyvinyl alcohol (PVA) chains in order to simulate experimental environment of nanocomposites. Density functional theory (DFT) using local density approximation (LDA) functionals is employed to study the broadening of band gap upon ligation of nanoclusters. We have used in situ chemical route to synthesize nanocomposites. Optical band gap has been calculated from both experimental and theoretical approach.},
doi = {10.1063/1.4872637},
url = {https://www.osti.gov/biblio/22269486}, journal = {AIP Conference Proceedings},
issn = {0094-243X},
number = 1,
volume = 1591,
place = {United States},
year = {Thu Apr 24 00:00:00 EDT 2014},
month = {Thu Apr 24 00:00:00 EDT 2014}
}