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

Journal Article · Thu Apr 24 04:00:00 EDT 2014 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4872637· OSTI ID:22269486

Bala, Vaneeta; Kumar, Ranjan ^[1]

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1. Department of Physics, Panjab University, Chandigarh (India)

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.

• OSTI ID: 22269486
• Journal Information: AIP Conference Proceedings, Journal Name: AIP Conference Proceedings Journal Issue: 1 Vol. 1591; ISSN APCPCS; ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
77 NANOSCIENCE AND NANOTECHNOLOGY
ALUMINIUM COMPOUNDS
APPROXIMATIONS
CADMIUM SULFIDES
COMPOSITE MATERIALS
DENSITY FUNCTIONAL METHOD
DOPED MATERIALS
ELECTRONIC STRUCTURE
ENERGY GAP
NANOSTRUCTURES
OPTICAL PROPERTIES
PVA