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  Discovery of new optoelectronic materials for coatings on glass towards net zero technologies.


   Department of Chemistry

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  Prof M J Rosseinsky, Dr J Alaria, Dr T Manning  Applications accepted all year round  Funded PhD Project (Students Worldwide)

About the Project

An opportunity for a 3.5 year PhD position supported by NSG Group towards the discovery of new materials as coatings on glass.

This project aims to develop new materials for optoelectronic applications on glass to contribute to the net zero agenda. New materials are required to maintain the pace of efficiency and performance improvements in thin film PV devices, energy saving glazing, electronic displays, lighting and other emerging markets. Previous work in collaboration with NSG has used computational chemistry and deep (machine) learning to predict new material compositions with high optical transparency and high electrical conductivity.

Using the outputs of the computational prediction studies mentioned above the student will attempt the bulk synthesis, structural characterisation and property measurements of the materials. Bulk synthesis of the materials will be followed by pulsed laser deposition (PLD) and/or magnetron sputtering to prepare high quality films on single crystal and glass substrates for characterisation and property measurements. Further developments could employ other thin film deposition methods suitable for large-scale production on glass substrates e.g. chemical vapour deposition, spray pyrolysis etc. in collaboration with NSG Group and will require use of the laboratories at the NSG Group Technical Centre at Lathom, Lancashire. There are extensive opportunities to use synchrotron X-ray and neutron scattering facilities for detailed composition-structure-property relationship studies.

As well as obtaining knowledge and experience in materials synthesis, characterisation and crystallographic techniques, the student will develop skills in teamwork and scientific communication as computational and experimental researchers within the team work closely together.

Applications are welcomed from candidates with a strong undergraduate interest and/or background in solid state chemistry, condensed matter physics, materials science or related fields. Please ensure you include the project title and reference number: CCPR083 in your online application form. To apply for this opportunity, please visit: https://www.liverpool.ac.uk/study/postgraduate-research/how-to-apply/ and click the ‘Ready to apply?  Apply online’ button.  Another common alternative route for applying is to send a CV/covering letter/references to the main supervisor or PGR admin team.

The inorganic materials chemistry group, led by Prof Rosseinsky at the University of Liverpool (https://www.liverpool.ac.uk/chemistry/research/rosseinsky-group/about/), focusses its research on the discovery of new solid inorganic compounds. Recently, the use of computational materials chemistry has accelerated this materials discovery process, leading to the synthesis of a range of novel metal oxides with a variety of functional properties1–8. These successes have shown that the process of computer aided materials discovery relies on a close working relationship between computational and experimental researchers within the group, which is recognized in the EPSRC Programme Grant in Digital Navigation of Chemical Space for Function, and the decision to bring together theoretical and experimental researchers within the Materials Innovation Factory and the Leverhulme Centre for Functional Materials Design at the University of Liverpool. The successful candidate will participate in this relationship, using their experimental skills in close collaboration with the computational excellence present within the research group, to accelerate the discovery of new materials. The research will be performed in the state-of-the-art laboratories of the Materials Innovation Factory.


Chemistry (6) Materials Science (24)

Funding Notes

50% funded by NSG Group and 50% funded by the university through an EPSRC Doctoral Training Partnership award.
Applications from candidates meeting requirements of EPSRC are welcome. It provides tuition fees and stipend of £17,668 (rate from 01/10/2022).
Budget for research and training of £1000 per year. A disabled student’s allowance for additional support.
This is available for Home, EU or international students. Number of international students we can appoint per year is limited.
You’ll be encouraged to undertake teaching duties. You’ll receive training and payment. Option to work towards and apply for Associate Fellowship of the Higher Education Academy.

References

1. JA. Newnham, T. Zhao, QD. Gibson, TD. Manning, Troy M. Zanella,E. Mariani, LM. Daniels, J. Alaria, JB. Claridge, F. Corà, Furio MJ Rosseinsky (2022) Band Structure Engineering of Bi4O4SeCl2 for Thermoelectric Applications. ACS Organic & Inorganic Au, 2 (5). pp. 405-414.
2. A. Vasylenko, D. Antypov, V. Gusev, MW. Gaultois, MS. Dyer, MJ. Rosseinsky, Element selection for functional materials discovery by integrated machine learning of elemental contributions to properties, arXiv:2202.01051
3. G. Han, A. Vasylenko, AR. Neale, BB. Duff, R. Chen, MS. Dyer, Y. Dang, LM. Daniels, M. Zanella, CM. Robertson, LJ Kershaw-Cook, A-L, Hansen, M. Knapp, LJ. Hardwick, F. Blanc, JB. Claridge, and MJ. Rosseinsky, (2021) Extended Condensed Ultraphosphate Frameworks with Monovalent Ions Combine Lithium Mobility with High Computed Electrochemical Stability. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 143 (43). pp. 18216-18232.
4. JL. Stoner, PAE. Murgatroyd, M. O'Sullivan, MS. Dyer, TD. Manning, JB. Claridge, MJ. Rosseinsky and J Alaria, (2019) Chemical Control of Correlated Metals as Transparent Conductors, Advanced Functional Materials, 1808609

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