Proceedings of September Meeting 2016 (NFM16)
Publication date: 14th June 2016
The field of ferroelectric photovoltaics has witnessed a remarkable renaissance in recent years. This has largely occurred in two separate, but related, fields; namely oxide perovskites and hybrid halide perovskites. Whilst both fields have borne witness to remarkable jumps in device performance of late, challenges nonetheless remain. In the former it is difficult to engineer materials with optimal band gaps for optical absorption, in the latter issues of stability and the inclusion of lead hamper commercial uptake. By learning the lessons from both fields we have developed a strategy for searching for new materials, with the benefits of both and the weaknesses of neither.
In this talk I will first outline the necessary and desired properties of a ferroelectric photovoltaic which we can apply as criteria in a high-throughput search of chemical space. I will present the results of our recent screening work focusing primarily on the promising family of V-VI-VII chalcohalides [1,2], discussing structural and chemical trends and their implications for application. I will then focus on the challenge of incorporating such materials in a device context. In particular I will introduce a procedure which we have developed for identifying promising combinations of materials for producing electronically matched, mechanically stable interfaces [3]. The combination of the two procedures allows for the prediction of optimal device architectures and compositions from computational design.
[1] Energy & Environmental Science 8, 838, 2015
[2] Applied Physics Letters 108, 112103, 2016
[3] Journal of Materials Chemistry C 4, 1149, 2016
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