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Nanostructured anti-reflection coatings for LED applications

Project Member(s): Ford, M.

Funding or Partner Organisation: National Computational Infrastructure National Facility (National Computational Infrastructure)

Start year: 2016

Summary: The principal goal of this research project is to use a combination of computational and experimental methods to develop practical anti-reflection coatings based on composite nanostructures of metal and high conductivity ZnO nanorods to improve the efficiency of light emitting diodes. The proposed research will deepen our understanding of the fundamental mechanisms involved in plasmonic interactions in low loss ZnO materials and will facilitate progress in a wide range of important practical applications, such as solar cell devices, chemical and biological sensors, photo-catalysts and fuel cells, water splitting and high-speed photonic devices. First principles quantum chemical calculations, using Density Functional Theory based methods will be used to study the interaction of light with these composite nanostructures. These are very large parallel calculations requiring HPC facilities in order to access sufficient memory and to run the calculations in a reasonable timeframe. We are requesting a total of 200K CPU hours on Raijin to undertake the proposed research. The main outcome of this project will be the development of robust predictive computational models for the enhancement of light emission from semiconductor surfaces . The project has the capacity to improve the efficiency of light emitting devices such as a LEDs.

Publications:

Xu, Z-Q, Elbadawi, C, Tran, TT, Kianinia, M, Li, X, Liu, D, Hoffman, TB, Nguyen, M, Kim, S, Edgar, JH, Wu, X, Song, L, Ali, S, Ford, M, Toth, M & Aharonovich, I 2018, 'Single photon emission from plasma treated 2D hexagonal boron nitride.', Nanoscale, vol. 10, no. 17, pp. 7957-7965.
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Tawfik, SA, Ali, S, Fronzi, M, Kianinia, M, Tran, TT, Stampfl, C, Aharonovich, I, Toth, M & Ford, MJ 2017, 'First-principles investigation of quantum emission from hBN defects.', Nanoscale, vol. 9, no. 36, pp. 13575-13582.
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Zhu, L, Lem, LLC, Nguyen, TP, Fair, K, Ali, S, Ford, MJ, Phillips, MR & Ton-That, C 2017, 'Indirect excitons in hydrogen-doped ZnO', Journal of Physics D: Applied Physics, vol. 50, no. 11.
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Grosso, G, Moon, H, Lienhard, B, Ali, S, Furchi, MM, Walsh, M, Efetov, DK, Jarillo-Herrero, P, Ford, MJ, Aharonovich, I & Englund, D 2017, 'Tunable quantum emission from atomic defects in hexagonal boron nitride', 2017 Conference on Lasers and Electro-Optics, CLEO 2017 - Proceedings, Conference on Lasers and Electro-Optics, IEEE, San Jose, CA, USA, pp. 1-2.
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FOR Codes: Condensed Matter Modelling and Density Functional Theory, Expanding Knowledge in the Physical Sciences