Chinwe

What inspired you to pursue this project and join the DAMC CDT?  

My inspiration for pursuing this project is to broaden my research expertise and advance my career. Studying physics at the undergraduate level sparked my interest in solar photovoltaic energy, which led to my undergraduate thesis on thin-film solar cells. This project sharpened my research skills and drove me to complete a master’s degree in physics, focusing on how impurities affect material behaviour. I then earned another master's degree in Renewable Energy Systems Technology from Loughborough University, where I studied the effects of light and heat on solar cell materials. Building on my research experience, I was eager to develop my skills in predicting material behaviour, which prompted me to participate in a ten-day intensive training on simulating nanophotonic structures at the Nano Research Laboratory. The insights gained from this training motivated me to pursue a Ph.D. in the computational exploration of substrates and interfaces for thin-film solar cells. Being part of the CDT offers collaboration and networking opportunities, giving me access to research networks and state-of-the-art facilities within the university and industry. The interdisciplinary and broad research scope provides significant flexibility, complemented by professional training and industry placements that will help enhance my practical experience in the field of photovoltaics.

What is your research project about, and what impact do you hope it will have?     

This project focuses on modelling and simulating the structural, electronic and optical properties of thin-film solar cell device materials, using the density functional theory (DFT) as implemented in the Vienna ab initio simulation package (VASP), to computationally understand their behaviour and properties, including the interfacial interactions between the different layers (transparent conducting oxide, electron/hole transport, and solar absorber material). It will investigate how the glass substrate and the layers of the thin-film device influence charge transport, recombination rates and overall efficiency, analysing how the band alignments and atomic structure at the interfaces between the substrate, transport layers, and solar absorber layers affect optical performance, electronic properties and potential device performance. This project will facilitate the identification and discovery of new materials with enhanced properties for optimal material interface design. This design will enable the optimisation of the thin-film device for efficient and reliable operation.

What has been the most exciting or rewarding part of your PhD journey so far? How does your project benefit from being part of an interdisciplinary CDT like DAMC?  

The most exciting part of my PhD so far has been my computational predictions aligning with experimental trends. I was able to closely match the calculated electronic bandgap of nickel oxide to the experimental value, which improved my confidence that my models can genuinely guide materials selection. Seeing theory and reality converge was incredibly rewarding. My project combines chemistry, physics and data analysis, exposing me to researchers in those fields for experimental insights in designing realistic models and validating them.