Computational design of higher-order super-structured materials focusing on their hyper-nano spaces as essential parameters to search innovative photovoltaic properties

Presto Researcher

Hyeon-Deuk Kim

Kyoto University Graduate School of Science
Assistant Professor

Research Outline

Super-efficient photovoltaic materials manipulating hyper-nano spaces between/inside their nanoscale components will be computationally designed. Such hyper-nano spaces of higher-order super-structured materials are newly introduced as innovative leading parameters to predict their photovoltaic properties, which could not be achieved by either an isolated nano component or a bulk crystal. The state-of-the-art time-domain ab initio simulation method will be developed to compute various useful photoexcited dynamics such as multiple exciton generation which induces multiple carriers and avoids phonon dissipation. The developed computational method will play a critical role in designing hyper-nano spaces in higher-order super-structured materials toward innovative functionality.

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