Search of hole transport materials for the Perovskite solar cell by Electronic-Structure Informatics.

Abstract

For the purpose of materials optimization and cost reduction in hole transport materials for perovskite solar cells, we carried out electronic-structure informatics research based on quantum chemical calculations. We performed a systematic analysis on hole transport materials used in perovskite solar cells based on the results of electronic-state data-mining and evaluations of electronic similarity to elucidate structure-related correlations.