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Optical and Quantum Electronics

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01.12.2021

Numerical investigation of electronic, dielectric and optical properties of CdO, SnO₂/CdO and SnO₂/CdO/PVP nanocomposites

verfasst von: A. Akouibaa, R. Masrour, A. Jabar, G. Kadim, M. Benhamou, A. Derouiche

Erschienen in: Optical and Quantum Electronics | Ausgabe 12/2021

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Abstract

In this work, the electronic, optical and dielectric properties of pure CdO, mixed SnO₂/CdO and PVP coated SnO₂/CdO nanocomposites were calculated using the finite element method (FEM) and density functional theory. In this approach, the three studied nanostructures are modeled by the following geometric shapes: cubic-CdO, orthorhombic core/shell-SnO₂/CdO and nanorod SnO₂/CdO/PVP. The electronic structure shows that CdO and SnO₂/CdO have semiconductor character. The complex dielectric function, absorption spectra, refractive index, and reflectivity are discussed based on the electronic structure calculations. The obtained results using FEM confirm that the complex permittivity, absorption cross section, reflectivity and complex optical conductivity of CdO nanoparticle depend on their concentration in the surrounding medium and on the nature of the latter. The optical parameters spectra of CdO, SnO₂/CdO and CdO/SnO₂/PVP have the same evolution in the VU–Vis–NIR band. The effect of PVP coating on the optical properties of CdO/SnO₂/PVP nanocomposites is also studied.

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Ahmada, H.A., Saidena, N.M., Saiona, E., Azisa, R.S., Mamat, M.S., Hashim, M.: Effect of PVP as a capping agent in single reaction synthesis of nanocomposite soft/hard ferrite nanoparticles. J. Magn. Magn. Mater. 428, 219–222 (2017). https://doi.org/10.1016/j.jmmm.2016.12.047ADSCrossRef

Al-Hada, N.M., Saion, E., Kamari, H.M., Flaifel, M.H., Shaari, A.H., Talib, Z.A., Abdullahi, N., Baqer, A.A., Kharazmi, A.: Structural, morphological and optical behaviour of PVP capped binary (ZnO)–0.4(CdO)–0.6 nanoparticles synthesised by a facile thermal route. Mater. Sci. Semicond. Process. 53, 56–65 (2016). https://doi.org/10.1016/j.mssp.2016.06.004CrossRef

Altwein, M., Finkenrath, H., Konak, C., Stuke, J., Zimmerer, G.: The electronic structure of CdO II. Spectral distribution of optical constants. Phys. Status Solidi 29, 203–209 (1968). https://doi.org/10.1002/pssb.19680290123CrossRef

Anitha, V.S., Sujatha Lakshmy, S., Joy, K.: Effect of Mn doping on the structural, magnetic, optical and electrical properties of ZrO₂–SnO₂ thin films prepared by sol–gel method. J. Alloys Compd. 675, 331–340 (2016). https://doi.org/10.1016/j.jallcom.2016.03.045CrossRef

Aspnes, D.E.: The Accurate Determination of optỉcal properties by ellipsometry. In: Palik, E.D. (ed.) Handbook of Optical Constants of Solids, vol. I, p. 91. Academic, Orlando (1985)

Bickelhaupt, F.M., Baerends, E.J.: Kohn-Sham density functional theory: predicting and understanding chemistry. Rev. Comput. Chem. 15, 1–86 (2000)

Blaha, P., Schwarz, K., Madsen, G.K.H., Kvasnicka, D., Luitz, J.: WIEN2k, an Augmented Plane Wave þ Local Orbitals Program for Calculating Crystal Properties, Karlheinz Schwarz. Technical Universitat Wien, Vienna (2001)

Bououdina, M., Dakhel, A.A., El-Hilo, M., Anjum, D.H., Kanoun, M.B., Goumri-Said, S.: Revealing a room temperature ferromagnetism in cadmium oxide nanoparticles: an experimental and first-principles study. RSC Adv. 5(42), 33233–33238 (2015)ADSCrossRef

Chen, X., Shen, S., Guo, L., Mao, S.S.: Semiconductor-based photocatalytic hydrogen generation. Chem. Rev. 110, 6503–6570 (2010). https://doi.org/10.1021/cr1001645CrossRef

Choi, S.G., Zúñiga-Pérez, J., Muñoz-Sanjosé, V., Norman, A.G., Perkins, C.L., Levi, D.H.: Complex dielectric function and refractive index spectra of epitaxial CdO thin film grown on r-plane sapphire from 0.74 to 6.45 eV. J. Vac. Sci. Technol. B 28, 1120–1124 (2010). https://doi.org/10.1116/1.3498755CrossRef

Clausius, R.: Die mechanische U’grmetheorie. 2, 62 (1879)

Dash, L.K., Vast, N., Baranek, P., Reining, M.C., Cheynet, L.: Electronic structure and electron energy-loss spectroscopy of ZrO₂ zirconia. Phys. Rev. B 70(24), 245116 (2004). https://doi.org/10.1103/PhysRevB.70.245116ADSCrossRef

Essalah, G., Kadim, G., Jabar, A., Masrour, R., Ellouze, M., Guermazi, H., Guermazi, S.: Structural, optical, photoluminescence properties and Ab initio calculations of new Zn₂SiO₄/ZnO composite for white light emitting diodes. Ceram. Int. 46(8), 12656–12664 (2020)CrossRef

Freeouf, J.L.: Far-ultraviolet reflectance of II–VI compounds and correlation with the Penn-Phillips gap. Phys. Rev. B 7, 3810–3830 (1973). https://doi.org/10.1103/PhysRevB.7.3810ADSCrossRef

Fujishima, A., Honda, K.: Electrochemical photolysis of water at a semiconductor electrode. Nature 238, 37–38 (1972). https://doi.org/10.1038/238037a0ADSCrossRef

Jebbor, N., Bri, S.: Effective permittivity of periodic materials: numerical modeling by the finite element method. J. Electrostat. 70(4), 393–399 (2012). https://doi.org/10.1016/j.elstat.2012.05.007CrossRef

Jha, P., Rai, S., Ramanujachary, K.V., Lofland, S.E., Ganguli, A.K.: La–0.4Ba–0.4Ca–0.2)(Mn–0.4Ti–0.6)O₃: a new titanomanganate with a high dielectric constant and antiferromagnetic interactions. J. Solid State Chem. 177(8), 2881–2888 (2004). https://doi.org/10.5281/zenodo.1110608ADSCrossRef

Jin, S., Yang, Y., Medvedeva, J.E., Wang, L., Li, S., Cortes, N., Freeman, A.J.: Tuning the properties of transparent oxide conductors. Dopant ion size and electronic structure effects on CdO-based transparent conducting oxides. Ga-and indoped CdO thin films grown by MOCVD. Chem. Chem. Mater. 20, 220–230 (2007). https://doi.org/10.1021/cm702588mCrossRef

Kadim, G., Masrour, R., Jabar, A.: Large magnetocaloric effect, magnetic and electronic properties in Ho₃Pd₂ compound: Ab initio calculations and Monte Carlo simulations. J. Magn. Magn. Mater. 499, 166263 (2020)CrossRef

Kadim, G., Masrour, R., Jabar, A.: Magnetocaloric effect, electronic and magnetic properties of Ba₁₋_xSr_xFeO₃ barium–strontium ferrites: Monte Carlo simulations and comparative study between TB-mBJ and GGA+ U. Mater. Today Commun. 26, 102071 (2021a)CrossRef

Kadim, G., Masrour, R., Jabar, A.: Ferroelectric, quantum efficiency and photovoltaic properties in perovskite BiFeO₃ thin films: first principle calculations and Monte Carlo study. Int. J. Energy Res. 45, 9961–9969 (2021b)CrossRef

Kadim, G., Masrour, R., Jabar, A.: A comparative study between GGA, WC-GGA, TB-mBJ and GGA+ U on magnetocaloric effect, electronic, optic and magnetic properties of BaMnS₂ compound: DFT calculation and Monte Carlo simulation. Phys. Scr. 96, 045804 (2021c)ADSCrossRef

Karthik, K., Dhanuskodi, S., Gobinath, C., Prabukumar, S., Sivaramakrishnan, S.: Nanostructured CdO–NiO composite for multifunctional applications. Chem. Solids 112, 106–118 (2018a). https://doi.org/10.1016/j.jpcs.2017.09.016ADSCrossRef

Karthik, K., Dhanuskodi, S., Gobinath, C., Prabukumar, S., Sivaramakrishnan, S.: Multifunctional properties of CdO nanostructures synthesised through microwave assisted hydrothermal method. Mater. Res. Innov. 22, 1–9 (2018b). https://doi.org/10.1080/14328917.2018.1475443CrossRef

Koffyberg, F.P.: Thermoreflectance spectra of CdO: band gaps and band-population effects. Phys. Rev. B 13, 4470–4476 (1976). https://doi.org/10.1103/PhysRevB.13.4470ADSCrossRef

König, T.A.F., Ledin, P.A., Kerszulis, J., Mahmoud, M.A., El-Sayed, M.A., Reynolds, J.R., Tsukruk, V.V.: Electrically tunable plasmonic behavior of nanocube-polymer nanomaterials induced by a redox-active electrochromic polymer. ACS Nano 8(6), 6182–6192 (2014). https://doi.org/10.1021/nn501601eCrossRef

Kumar, P.S., Selvakumar, M., Bhagabati, P., Bharathi, B., Karuthapandian, S., Balakumar, S.: CdO/ZnO nanohybrids: facile synthesis and morphologically enhanced photocatalytic performance. RSC Adv. 4, 32977–32986 (2014). https://doi.org/10.1039/C4RA02502DADSCrossRef

Lan, M., Fan, G., Yang, L., Li, F.: Enhanced visible-light-induced photocatalytic performance of a novel ternary semiconductor coupling system based on hybrid Zn–In mixed metal oxide/g-C₃N₄ composites. RSC Adv. 5, 5725–5734 (2015). https://doi.org/10.1039/C4RA07073AADSCrossRef

Law, M., Beard, M.C., Choi, S., Luther, J.M., Hanna, M.C., Nozik, A.J.: Determining the internal quantum efficiency of PbSe nanocrystal solar cells with the aid of an optical model. Nano Lett. 8(11), 3904–3910 (2008). https://doi.org/10.1021/nl802353xADSCrossRef

Liu, Q.-J., Liu, Z.-T., Feng, L.-P.: First-principles calculations of structural, electronic and optical properties of tetragonal SnO₂ and SnO. Comput. Mater. Sci. 47, 1016–1022 (2010). https://doi.org/10.1016/j.commatsci.2009.11.038CrossRef

Liu, Q.-J., Zhang, N.-C., Liu, F.-S., Liu, Z.-T.: Structural, electronic, optical, elastic properties and Born effective charges of monoclinic HfO₂ from first-principles calculations. Chin. Phys. B 23(4), 047101 (2014). https://doi.org/10.1088/1674-1056/23/4/047101ADSCrossRef

Makori, N.E., Amatalo, I.A., Karimi, P.M., Njoroge, W.K.: Optical and electrical properties of CdO: Sn thin films for solar cell applications. Int. J. Optoelectr. Eng. 4, 11–15 (2014). https://doi.org/10.5923/j.ijoe.20140401.03CrossRef

Manjula, N., Selvan, G., Balu, A.R.: Improved photodegradation activity of SnO₂ nanopowder against methyl orange dye through Ag doping. J. Mater. Sci. Mater. Electron. 29, 3657–3664 (2017). https://doi.org/10.1007/s10854-017-8296-1CrossRef

Maxwell-Garnett, J.C.: Colours in metal glasses and in metallic films. Philos. Trans. r. Soc. A 203(359–371), 385–420 (1904). https://doi.org/10.1098/rsta.1904.0024ADSCrossRefMATH

Mazumder, J.T., Mayengbam, R., Tripathy, S.K.: Theoretical investigation on structural, electronic, optical and elastic properties of TiO₂, SnO₂, ZrO₂ and HfO₂ using SCAN meta-GGA functional: a DFT study. Mater. Chem. Phys. 254, 123474 (2020). https://doi.org/10.1016/j.matchemphys.2020.123474CrossRef

Melghit, K., Mohammed, A.K., Al-Amri, I.: Chimie douce preparation, characterization and photocatalytic activity of nanocrystalline SnO₂. Mater. Sci. Eng. B 117, 302–306 (2005). https://doi.org/10.1016/j.mseb.2004.12.021CrossRef

Mossotti, O.F.: Mem. di mathem. e fisica in Modena. 24, 49 (1850)

Myroshnychenko, V., Brosseau, C.: Finite-element modeling method for the prediction of the complex effective permittivity of two-phase random statistically isotropic heterostructures. J. Appl. Phys. 97, 044101 (2005a). https://doi.org/10.1063/1.1835544ADSCrossRef

Myroshnychenko, V., Brosseau, C.: Finite-element method for calculation of the effective permittivity of random inhomogeneous media. Phys. Rev. E 71, 016701 (2005b). https://doi.org/10.1103/PhysRevE.71.016701ADSCrossRef

Natu, G., Wu, Y.: Photoelectrochemical study of the ilmenite polymorph of CdSnO₃ and its photoanodic application in dye-sensitized solar cells. J. Phys. Chem. C 114(14), 6802–6807 (2010)CrossRef

Navarro, R.M., Valle, F.D., Fierro, J.L.G.: Photocatalytic hydrogen evolution from CdS–ZnO–CdO systems under visible light irradiation: effect of thermal treatment and presence of Pt and Ru cocatalyst. Int. J. Hydrog. Energy 33, 4265–4273 (2008). https://doi.org/10.1016/j.ijhydene.2008.05.048CrossRef

Prasad, B.V., Narsinga Rao, G., Chen, J.W., Suresh Babu, D.: Abnormal high dielectric constant in SmFeO₃ semiconductor ceramics. Mater. Res. Bull. 46(10), 1670–1673 (2011). https://doi.org/10.1016/j.materresbull.2011.06.001CrossRef

Rakibuddin, M., Ananthakrishnan, R.: Effective photocatalytic dechlorination of 2,4-dichlorophenol by a novel graphene encapsulated ZnO/Co₃O₄ core–shell hybrid under visible light. Photochem. Photobiol. Sci. 15, 86–98 (2016). https://doi.org/10.1039/C5PP00305ACrossRef

Ramirez, A.P., Subramanian, M.A., Gardel, M.: Giant dielectric constant response in a copper-titanate. Solid State Commun. 115(5), 217–220 (2000). https://doi.org/10.1016/S0038-1098(00)00182-4ADSCrossRef

Reddy, J.N.: An Introduction to Finite Element Method. McGraw-Hill Inc., New York (1993)

Reddy, C.V., Babu, B., Shim, J.: Synthesis, optical properties and efficient photocatalytic activity of CdO/ZnO hybrid nanocomposite. J. Phys. Chem. Solids 112, 20–28 (2018). https://doi.org/10.1016/j.jpcs.2017.09.003ADSCrossRef

Saravanan, R., Khan, M.M., Gupta, V.K., Mosquera, E., Gracia, F., Narayanang, V., Stephen, A.: ZnO/Ag/CdO nanocomposite for visible light induced photocatalytic degradation of industrial textile effluents. J. Colloid Interface Sci. 452, 126–133 (2015). https://doi.org/10.1016/j.jcis.2015.04.035ADSCrossRef

Sareni, B., Krähenbühl, L., Beroual, A., Brosseau, C.: Effective dielectric constant of periodic composite materials. J. Appl. Phys. 80(3), 1688–1696 (1996). https://doi.org/10.1063/1.362969ADSCrossRef

Senthil, S., Srinivasan, S., Thangeeswari, T., Madhu, B.J., Silambarasan, M.: Enhanced dielectric, EMI shielding effectiveness, linear and nonlinear optical properties of CdO/SnO₂ nanocomposites. Nano-Struct. Nano-Objects 24, 100554 (2020). https://doi.org/10.1016/j.nanoso.2020.100554CrossRef

Shen, X.C.: Semiconductor Spectroscopy and Optical Properties, 2nd edn., p. 76. Science Press, Beijing (1992). (in Chinese)

Shenoy, S.D., Joy, P.A., Anantharaman, M.R.: Effect of mechanical milling on the structural, magnetic and dielectric properties of coprecipitated ultrafine zinc ferrite. J. Magn. Magn. Mater. 269(2), 217–226 (2004). https://doi.org/10.1016/S0304-8853(03)00596-1ADSCrossRef

Sirohi, K., Kumar, S., Singh, V., Vohra, A.: Synthesis and characterization of CdO–SnO₂ nanocomposites prepared by hydrothermal method. Acta Metall. Sin. (Engl. Lett.) 31(3), 254–262 (2018). https://doi.org/10.1007/s40195-017-0659-3CrossRef

Subrahmanyam, A., Ananthakrishnan, R., Rakibuddin, M., Ramesh, T.P., Kiran, M.R., Shankari, D., Chandrasekhar, K.: Efficacy of titanium doped-indium tin oxide (Ti/TiO₂-ITO) films in rapid oxygen generation under photocatalysis and their suitability for bio-medical application. Phys. Chem. Chem. Phys. 16, 24790–24799 (2014). https://doi.org/10.1039/C4CP02819HCrossRef

Subramanian, M.A., Li, D., Duan, N., Reisner, B.A., Sleight, A.W.: High dielectric constant in ACu₃Ti₄O₁₂ and ACu₃Ti₃FeO₁₂ phases. J. Solid State Chem. 151(2), 323–325 (2000). https://doi.org/10.1006/jssc.2000.8703ADSCrossRef

Thomas, P., Abraham, K.E.: Excitation wavelength dependent visible photoluminescence of CdO nanomorphotypes. J. Lumin. 158, 422–427 (2015)CrossRef

Tripathi, R., Dutta, A., Das, S., Kumar, A., Sinha, T.P.: Dielectric relaxation of CdO nanoparticles. Appl. Nanosci. 6(2), 175–181 (2016)ADSCrossRef

Vackář, J., Čertík, O., Cimrman, R., Novák, M., Šipr, O., Plešek, J.: Finite element method in density functional theory electronic structure calculations. In: Hoggan, P., Brändas, E., Maruani, J., Piecuch, P., Delgado-Barrio, G. (eds.) Advances in the Theory of Quantum Systems in Chemistry and Physics. Progress of Theoretical and Experimental Physics, vol. 22, pp. 199–217. Dordrecht, Springer (2012). https://doi.org/10.1007/978-94-007-2076-3_12CrossRef

Veena Gopalan, E., Malini, K.A., Saravanan, S., Sakthi Kumar, D., Yoshida, Y., Anantharaman, M.R.: Evidence for polaron conduction in nanostructured manganese ferrite. J. Phys. D Appl. Phys. 41, 185005 (2008). https://doi.org/10.1088/0022-3727/41/18/185005ADSCrossRef

Wolfram, G., Gobel, H.E.: Existence range, structural and dielectric properties of Zr_xTi_ySn_zO₄ ceramics (x + y + z = 2). Mater. Res. Bull. 16, 1455–1463 (1981). https://doi.org/10.1016/0025-5408(81)90066-0CrossRef

Zhao, Z., Morel, D.L., Ferekides, C.S.: Electrical and optical properties of tin-doped CdO films deposited by atmospheric metalorganic chemical vapor deposition. Thin Solid Films 413, 203–211 (2002). https://doi.org/10.1016/S0040-6090(02)00344-9ADSCrossRef

Zhuang, S., Xu, X., Feng, B., Hu, J., Pang, Y., Zhou, G., Tong, L., Zhou, Y.: Photogenerated carriers transfer in dye–graphene–SnO₂ composites for highly efficient visible-light photocatalysis. ACS Appl. Mater. Interfaces 6, 613–621 (2014). https://doi.org/10.1021/am4047014CrossRef

Zienkiewicz, O.C., Taylor, R.L.: The Finite Element Method, vol. 1. McGraw-Hill, London (1989)

Titel: Numerical investigation of electronic, dielectric and optical properties of CdO, SnO2/CdO and SnO2/CdO/PVP nanocomposites
verfasst von: A. Akouibaa
R. Masrour
A. Jabar
G. Kadim
M. Benhamou
A. Derouiche
Publikationsdatum: 01.12.2021
Verlag: Springer US
Erschienen in: Optical and Quantum Electronics / Ausgabe 12/2021
Print ISSN: 0306-8919
Elektronische ISSN: 1572-817X
DOI: https://doi.org/10.1007/s11082-021-03305-z

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