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Title: Investigations on the electronic properties and effect of chitosan capping on the structural and optical properties of zinc aluminate quantum dots

Abstract

Quantum confined uncapped and chitosan capped nanoparticles of ZnAl2O4 synthesized by microwave-assisted sol–gel method were investigated by structural analysis and optical techniques. X-ray diffraction studies confirmed the formation of cubic spinels with crystallite size 4.5 nm and 3.4 nm, respectively for uncapped and chitosan capped ZnAl2O4 nanoparticles. Chitosan capping produced a blue shift in bandgap energy (3.84 to 3.94 eV) agreeing with size effects according to the Brus equation. A blue shift in emission peak and enhancement in photoluminescence intensity was also observed upon chitosan capping. The electronic band structure and the density of states of the bulk spinel were also calculated using density functional theory. The effective masses of electrons and holes estimated based on the band structure were used to extract the excitonic Bohr radius.

Authors:
 [1];  [1];  [1];  [2];  [3];  [4]
  1. Union Christian College (India)
  2. Michigan Technological Univ., Houghton, MI (United States)
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  4. CHRIST (Deemed to be University) Bengaluru (India)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1836441
Alternate Identifier(s):
OSTI ID: 1862598
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Applied Surface Science
Additional Journal Information:
Journal Volume: 579; Journal Issue: March; Journal ID: ISSN 0169-4332
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Zinc aluminate; Chitosan; Density functional theory; Microwave assisted sol–gel synthesis; Photoluminescence; Brus equation; Bandgap; Quantum confinement

Citation Formats

Varghese, Aveena, Kuriakose, Elezabeth, Jose, Jervise, Aryal, Sandip, Khanal, Rabi, and Anila, E I. Investigations on the electronic properties and effect of chitosan capping on the structural and optical properties of zinc aluminate quantum dots. United States: N. p., 2021. Web. doi:10.1016/j.apsusc.2021.152162.
Varghese, Aveena, Kuriakose, Elezabeth, Jose, Jervise, Aryal, Sandip, Khanal, Rabi, & Anila, E I. Investigations on the electronic properties and effect of chitosan capping on the structural and optical properties of zinc aluminate quantum dots. United States. https://doi.org/10.1016/j.apsusc.2021.152162
Varghese, Aveena, Kuriakose, Elezabeth, Jose, Jervise, Aryal, Sandip, Khanal, Rabi, and Anila, E I. Fri . "Investigations on the electronic properties and effect of chitosan capping on the structural and optical properties of zinc aluminate quantum dots". United States. https://doi.org/10.1016/j.apsusc.2021.152162. https://www.osti.gov/servlets/purl/1836441.
@article{osti_1836441,
title = {Investigations on the electronic properties and effect of chitosan capping on the structural and optical properties of zinc aluminate quantum dots},
author = {Varghese, Aveena and Kuriakose, Elezabeth and Jose, Jervise and Aryal, Sandip and Khanal, Rabi and Anila, E I.},
abstractNote = {Quantum confined uncapped and chitosan capped nanoparticles of ZnAl2O4 synthesized by microwave-assisted sol–gel method were investigated by structural analysis and optical techniques. X-ray diffraction studies confirmed the formation of cubic spinels with crystallite size 4.5 nm and 3.4 nm, respectively for uncapped and chitosan capped ZnAl2O4 nanoparticles. Chitosan capping produced a blue shift in bandgap energy (3.84 to 3.94 eV) agreeing with size effects according to the Brus equation. A blue shift in emission peak and enhancement in photoluminescence intensity was also observed upon chitosan capping. The electronic band structure and the density of states of the bulk spinel were also calculated using density functional theory. The effective masses of electrons and holes estimated based on the band structure were used to extract the excitonic Bohr radius.},
doi = {10.1016/j.apsusc.2021.152162},
journal = {Applied Surface Science},
number = March,
volume = 579,
place = {United States},
year = {2021},
month = {12}
}

Works referenced in this record:

Synthesis of ternary zinc spinel oxides and their application in the photodegradation of organic pollutant
journal, April 2014


Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Heterogeneous Catalysis on Metal Oxides
journal, November 2017


Reactive oxygen species‐induced heterogeneous photocatalytic degradation of organic pollutant Rhodamine B by copper and zinc aluminate spinels
journal, November 2019

  • Vieira, Yasmin; Leichtweis, Jandira; Foletto, Edson Luiz
  • Journal of Chemical Technology & Biotechnology, Vol. 95, Issue 3
  • DOI: 10.1002/jctb.6267

Luminescent and structural properties of manganese-doped zinc aluminate spinel nanocrystals
journal, May 2013


Highly active lanthanum doped ZnO nanorods for photodegradation of metasystox
journal, January 2014


Synthesis and characterization of the NiAl2O4, CoAl2O4 and ZnAl2O4 spinels by the polymeric precursors method
journal, August 2009


Projector augmented-wave method
journal, December 1994


Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996


Hydrothermal synthesis of nanoporous zinc aluminate with high surface area
journal, January 2000


Special points for Brillouin-zone integrations
journal, June 1976

  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

Photocatalytic degradation of gaseous toluene over ZnAl2O4 prepared by different methods: A comparative study
journal, February 2011


Chitosan-coated nickel-ferrite nanoparticles as contrast agents in magnetic resonance imaging
journal, May 2015

  • Ahmad, Tanveer; Bae, Hongsub; Iqbal, Yousaf
  • Journal of Magnetism and Magnetic Materials, Vol. 381
  • DOI: 10.1016/j.jmmm.2014.12.077

Preparation and characterization of nano chitosan for treatment wastewaters
journal, June 2013

  • Sivakami, M. S.; Gomathi, Thandapani; Venkatesan, Jayachandran
  • International Journal of Biological Macromolecules, Vol. 57
  • DOI: 10.1016/j.ijbiomac.2013.03.005

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


Chitosan-capped gold nanoparticles for indicating temperature abuse in frozen stored products
journal, January 2019

  • Mohan, Chitradurga Obaiah; Gunasekaran, S.; Ravishankar, C. N.
  • npj Science of Food, Vol. 3, Issue 1
  • DOI: 10.1038/s41538-019-0034-z

Oxide thin-film electroluminescent devices and materials
journal, December 2003


Structural, elastic, thermophysical and dielectric properties of zinc aluminate (ZnAl 2 O 4 )
journal, July 2004


Low temperature synthesis and characterization of zinc gallate quantum dots for optoelectronic applications
journal, April 2018


Systematics of the spinel structure type
journal, January 1979

  • Hill, Roderick J.; Craig, James R.; Gibbs, G. V.
  • Physics and Chemistry of Minerals, Vol. 4, Issue 4
  • DOI: 10.1007/BF00307535

Atomistic Simulation Study of Spinel Oxides: Zinc Aluminate and Zinc Gallate
journal, December 1999


Porous ZnAl2O4 synthesized by a modified citrate technique
journal, August 2004


Spinel ferrite nanoparticles and nanocomposites for biomedical applications and their toxicity
journal, February 2020

  • Kefeni, Kebede K.; Msagati, Titus A. M.; Nkambule, Thabo TI.
  • Materials Science and Engineering: C, Vol. 107
  • DOI: 10.1016/j.msec.2019.110314

Spinel ferrite oxide semiconductor gas sensors
journal, January 2016


Catalytic properties of Pd supported on ZnO/ZnAl2O4/Al2O3 mixtures in dimethyl ether autothermal reforming
journal, February 2009


Co-precipitated ZnAl2O4 spinel precursor as potential sintering aid for pure alumina system
journal, May 2010


Porous alumina-spinel ceramics for high temperature applications
journal, May 2011


Properties of polyelectrolyte complex films of chitosan and gelatin
journal, June 1999


Catalytic activity of bismuth doped zinc aluminate nanoparticles towards environmental remediation
journal, September 2017


Facile solution synthesis and characterization of porous cubic-shaped superstructure of ZnAl2O4
journal, January 2011


Optical Properties of Zinc Aluminate, Zinc Gallate, and Zinc Aluminogallate Spinels
journal, March 1998