Investigation of the post-annealing electromagnetic response of Cu–Co oxide coatings via optical measurement and computational modelling

M.M. Rahman; H.A. Miran; Z-T Jiang; M. Altarawneh; L.S. Chuah; H-L Lee; A. Amri; N. Mondinos; B.Z. Dlugogorski

doi:10.1039/c6ra25626k

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Investigation of the post-annealing electromagnetic response of Cu–Co oxide coatings via optical measurement and computational modelling

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Investigation of the post-annealing electromagnetic response of Cu–Co oxide coatings via optical measurement and computational modelling

M.M. Rahman, H.A. Miran, Z-T Jiang, M. Altarawneh, L.S. Chuah, H-L Lee, A. Amri, N. Mondinos and B.Z. Dlugogorski

RSC Advances, Vol.7(27), pp.16826-16835

2017

DOI: https://doi.org/10.1039/c6ra25626k

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Abstract

The optical frequency response and changes to the dielectric and optical parameters due to annealing temperature variation (200–500 °C) of sol–gel derived CuCoOx thin film coatings were investigated. The optical constants such as absorption coefficient, band-gaps, Urbach energy, complex refractive index, complex dielectric constants, optical dispersion parameters, and energy loss functions were determined from reflectance data analysis recorded in the ultraviolet to near-infrared (190–2200 nm) range. The absorption coefficient and the broadening of absorption edge (steepness parameter), energy band-gaps, Urbach energy, loss tangent and energy loss functions decreased with the increase in annealing temperatures. The refractive index displayed normal dispersion behaviors at higher frequency with the maximum value at a temperature of 500 °C. First-principles simulations, density functional theory (DFT+U) as implemented in the Cambridge Serial Total Energy Package (CASTEP), based on a cluster structure of Cu0.5Co2.5O4 system, optimized the crystalline structure and calculated the electronic structure of the framework. The calculated density of states (DOS) and associated absorption coefficient and dielectric constant results reasonably support the experimental findings.

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Title: Investigation of the post-annealing electromagnetic response of Cu–Co oxide coatings via optical measurement and computational modelling
Authors/Creators: M.M. Rahman (Author/Creator) - Jahangirnagar University
H.A. Miran (Author/Creator) - University of Baghdad
Z-T Jiang (Author/Creator) - Murdoch University
M. Altarawneh (Author/Creator) - Murdoch University
L.S. Chuah (Author/Creator) - Universiti Sains Malaysia
H-L Lee (Author/Creator) - Universiti Sains Malaysia
A. Amri (Author/Creator) - Riau University
N. Mondinos (Author/Creator) - Murdoch University
B.Z. Dlugogorski (Author/Creator) - Murdoch University
Publication Details: RSC Advances, Vol.7(27), pp.16826-16835
Publisher: Royal Society of Chemistry
Identifiers: 991005545107307891
Murdoch Affiliation: School of Engineering and Information Technology
Language: English
Resource Type: Journal article

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Collaboration types: Domestic collaboration; International collaboration
Citation topics: 7 Engineering & Materials Science; 7.70 Thermodynamics; 7.70.1160 Solar Thermal Systems
Web Of Science research areas: Chemistry, Multidisciplinary
ESI research areas: Chemistry