Bor Katkılı ZnO Nanopartiküllerin Sentezi ve Yapısal, Morfolojik, Optik Özelliklerinin Deneysel/Kuramsal İncelenmesi

Year 2021, , 1064 - 1072, 31.12.2021

Yunus Kaya , Enver Baydır , Ömür Aras

https://doi.org/10.35193/bseufbd.1013756

Cited By: 1

Abstract

Bu çalışmada, sprey piroliz yöntemi ile farklı molar oranlarda (%0, 0.2, 0.5, 1, ve 2) bor katkılı ZnO nanoparçacıkları elde edilmiştir. Katkısız ve katkılı ZnO nanoparçacıklarının karakterizasyonu, X-ışını kırınımı (XRD) tekniği, yüzey morfolojisi Taramalı Elektron Mikroskobu (SEM) ve optik özellikler ultraviyole-görünür bölge spektrumu ölçülerek yapılmıştır. XRD analiz sonuçları, wurtzite kristal yapıda ZnO nanoparçacıklarının elde edildiğini göstermektedir. Bant aralığı enerjisi (Eg) her bir numune için 2.98 –3.15 eV aralığında bulunmuş ve katkı maddelerinin bant enerjisini artırdığı gözlemlenmiştir. Ayrıca 10 metal ve oksijen atomundan oluşan küme yapıları yarı deneysel/pm6 yöntemi ile optimize edilmiş, kuramsal band boşluğu enerjisi hesaplanmıştır.

Keywords

Bor Doplu ZnO Nanoparçacık, XRD, Bant Aralığı, DFT

Synthesis of Boron Doped ZnO Nanoparticles and Experimental/Theoretical Investigation of Structural, Morphological, Optical Properties

Abstract

In this study, boron doped ZnO nanoparticles in different molar ratios (% 0, 0.2, 0.5, 1, and 2) were obtained by spray pyrolysis method. Characterization of pure and doped ZnO nanoparticles was performed by X-ray diffraction (XRD) technique, Scanning Electron Microscopy (SEM) and UV-vis region spectrum. XRD analysis results show that ZnO nanoparticles in wurtzite crystal structure were obtained. The band gap energy (Eg) was found in the range of 2.98 - 3.14 eV for each sample, and it was observed that the additives increased the band energy. In addition, cluster structures consisting of 10 metal and oxygen atoms were optimized by the quasi-experimental/pm6 method, and the theoretical band gap energy was calculated.

Keywords

Boron Doped ZnO Nanoparticle, XRD, Band Gap, DFT

References

• Yakuphanoglu, F., Caglar, Y., Ilican, S., & Caglar, M. (2007). The effects of fluorine on the structural, surface morphology and optical properties of ZnO thin films. Physica B: Condensed Matter, 394(1), 86-92
• Katusic, S., Albers, P., Kern, R., Petrat, F. M., Sastrawan, R., Hore, S., ... & Gutsch, A. (2006). Production and characterization of ITO-Pt semiconductor powder containing nanoscale noble metal particles catalytically active in dye-sensitized solar cells. Solar energy materials and solar cells, 90(13), 1983-1999.
• Zaouk, D., Al Asmar, R., Podlecki, J., Zaatar, Y., Khoury, A., & Foucaran, A. (2007). X-ray diffraction studies of electrostatic sprayed SnO2: F films. Microelectronics journal, 38(8-9), 884-887.
• Gaikwad, R. S., Bhande, S. S., Mane, R. S., Pawar, B. N., Gaikwad, S. L., Han, S. H., & Joo, O. S. (2012). Roughness-based monitoring of transparency and conductivity in boron-doped ZnO thin films prepared by spray pyrolysis. Materials Research Bulletin, 47(12), 4257-4262.
• Kim, G., Bang, J., Kim, Y., Rout, S. K., & Woo, S. I. (2009). Structural, electrical and optical properties of boron doped ZnO thin films using LSMCD method at room temperature. Applied Physics A, 97(4), 821-828.
• Bougrine, A., El Hichou, A., Addou, M., Ebothé, J., Kachouane, A., & Troyon, M. (2003). Structural, optical and cathodoluminescence characteristics of undoped and tin-doped ZnO thin films prepared by spray pyrolysis. Materials Chemistry and Physics, 80(2), 438-445.
• Caglar, Y., Aksoy, S., Ilican, S., & Caglar, M. (2009). Crystalline structure and morphological properties of undoped and Sn doped ZnO thin films. Superlattices and microstructures, 46(3), 469-475.
• Ahmad, A. A., Alsaad, A. M., Al-Bataineh, Q. M., & Al-Naafa, M. A. (2018). Optical and structural investigations of dip-synthesized boron-doped ZnO-seeded platforms for ZnO nanostructures. Applied Physics A, 124(6), 1-13.
• Han, L. F., Fu, C. F., Liu, C., Liu, X. B., & Xie, R. H. (2019). Influence of working pressure on the structural, optical and electrical properties of Cr-doped ZnO thin films. Journal of Electronic Materials, 48(5), 3317-3323.
• Goktas, A., Tumbul, A., Aba, Z., & Durgun, M. (2019). Mg doping levels and annealing temperature induced structural, optical and electrical properties of highly c-axis oriented ZnO: Mg thin films and Al/ZnO: Mg/p-Si/Al heterojunction diode. Thin Solid Films, 680, 20-30.
• Alsaad, A. M., Al-Bataineh, Q. M., Ahmad, A. A., Albataineh, Z., & Telfah, A. (2020). Optical band gap and refractive index dispersion parameters of boron-doped ZnO thin films: A novel derived mathematical model from the experimental transmission spectra. Optik, 211, 164641.
• Chahmat, N., Souier, T., Mokri, A., Bououdina, M., Aida, M. S., & Ghers, M. (2014). Structure, microstructure and optical properties of Sn-doped ZnO thin films. Journal of alloys and compounds, 593, 148-153.
• Ilican, S., Caglar, Y., Caglar, M., & Demirci, B. (2008). Polycrystalline indium-doped ZnO thin films: preparation and characterization. Journal of optoelectronics and advanced materials, 10(10), 2592-2598.
• Dghoughi, L., Ouachtari, F., Addou, M., Elidrissi, B., Erguig, H., Rmili, A., & Bouaoud, A. (2010). The effect of Al-doping on the structural, optical, electrical and cathodoluminescence properties of ZnO thin films prepared by spray pyrolysis. Physica B: Condensed Matter, 405(9), 2277-2282.
• Dai, Z., Shi, F., Zhang, B., Li, M., & Zhang, Z. (2011). Effect of sizing on carbon fiber surface properties and fibers/epoxy interfacial adhesion. Applied Surface Science, 258(5), 1894-1894.
• Liu, Y., Li, Y., & Zeng, H. (2013). ZnO-based transparent conductive thin films: doping, performance, and processing. Journal of Nanomaterials, 196521.
• Fang, X. S., Ye, C. H., Zhang, L. D., Li, Y., & Xiao, Z. D. (2005). Formation and optical properties of thin and wide tin-doped ZnO nanobelts. Chemistry Letters, 34(3), 436-437.
• Wen, B., Liu, C. Q., Wang, N., Wang, H. L., Liu, S. M., Jiang, W. W., & Chai, W. P. (2015). Properties of boron-doped ZnO thin films deposited by pulsed DC magnetron sputtering at different substrate temperatures. Applied Physics A, 121(3), 1147-1153.
• Kaur, G., Mitra, A., & Yadav, K. L. (2015). Pulsed laser deposited Al-doped ZnO thin films for optical applications. Progress in Natural Science: Materials International, 25(1), 12-21.
• Holmelund, E., Schou, J., Tougaard, S., & Larsen, N. B. (2002). Pure and Sn-doped ZnO films produced by pulsed laser deposition. Applied surface science, 197, 467-471.
• Tsin, F., Venerosy, A., Vidal, J., Collin, S., Clatot, J., Lombez, L., & Rousset, J. (2015). Electrodeposition of ZnO window layer for an all-atmospheric fabrication process of chalcogenide solar cell. Scientific reports, 5(1), 1-8.
• Erturk, K., Isik, S., Aras, O., & Kaya, Y. (2021). Investigation of structural, spectral, optical and nonlinear optical properties of nanocrystal CdS: Electrodeposition and Quantum Mechanical Studies. Optik, 243, 167469.
• Goktas, A. (2018). High-quality solution-based Co and Cu co-doped ZnO nanocrystalline thin films: Comparison of the effects of air and argon annealing environments. Journal of Alloys and Compounds, 735, 2038-2045.
• Tsay, C. Y., Cheng, H. C., Tung, Y. T., Tuan, W. H., & Lin, C. K. (2008). Effect of Sn-doped on microstructural and optical properties of ZnO thin films deposited by sol–gel method. Thin Solid Films, 517(3), 1032-1036.
• Wen, B., Liu, C. Q., Wang, N., Wang, H. L., Liu, S. M., Jiang, W. W., ... & Chai, W. P. (2016). Crystallization behavior and properties of B-doped ZnO thin films prepared by sol-gel method with different pyrolysis temperatures. Chinese Journal of Chemical Physics, 29(2), 229-233.
• Mhamdi, A., Ouni, B., Amlouk, A., Boubaker, K., & Amlouk, M. (2014). Study of nickel doping effects on structural, electrical and optical properties of sprayed ZnO semiconductor layers. Journal of alloys and compounds, 582, 810-822.
• Ajili, M., Castagné, M., & Turki, N. K. (2013). Study on the doping effect of Sn-doped ZnO thin films. Superlattices and Microstructures, 53, 213-222.
• Chahmat, N., Haddad, A., Ain-Souya, A., Ganfoudi, R., Attaf, N., & Ghers, M. (2012). Effect of Sn doping on the properties of ZnO thin films prepared by spray pyrolysis.Journal of Modern Physics, 3(11), 1781-1785.
• Studenikin, S. A., Golego, N., & Cocivera, M. (1998). Optical and electrical properties of undoped ZnO films grown by spray pyrolysis of zinc nitrate solution. Journal of Applied Physics, 83(4), 2104-2111.
• Stewart, J. J. P., (2007). Optimization of Parameters for Semiempirical Methods V: Modification of NDDO Approximations and Application to 70 Elements. J. Mol. Model. 13, 1173-1213.
• Frisch, M.J. Trucks, G.W. Schlegel, H.B. Scuseria, G.E. Robb, M.A. Cheeseman, et al. (2009). Gaussian 09, Revision D.01, Gaussian Inc., Wallingford CT.
• Matxain, J. M., Fowler, J. E., & Ugalde, J. M. (2000). Small clusters of II-VI materials: Zn i S i, i= 1–9. Physical Review A, 61(5), 053201.
• Muscat, J., Wander, A., & Harrison, N. M. (2001). On the prediction of band gaps from hybrid functional theory. Chemical Physics Letters, 342(3-4), 397-401.
• Carbajo, J., Tolosana-Moranchel, A., Casas, J. A., Faraldos, M., & Bahamonde, A. (2018). Analysis of photoefficiency in TiO2 aqueous suspensions: effect of titania hydrodynamic particle size and catalyst loading on their optical properties. Applied Catalysis B: Environmental, 221, 1-8.
• Khatoon, S., & Ahmad, T. (2012). Synthesis, optical and magnetic properties of Ni-doped ZnO nanoparticles. Journal of Materials Science and Engineering B, 2(6), 325-333.
• Xiong, D. He, M. Zhang, W. Zhao, W. Wang, Q. & Feng, Z. (2019). Ab initio study on the electronic and optical properties of B-doped ZnO.Journal of Optoelectronics Advance Materials, 21, 129-135.
• Zhao, Z. W., Tay, B. K., Chen, J. S., Hu, J. F., Sun, X. W., & Tan, S. T. (2005). Optical properties of nanocluster-assembled ZnO thin films by nanocluster-beam deposition. Applied Physics Letters, 87(25), 251912.