Crystallographic Understanding of Photoelectric Properties for C₆₀ Derivatives Applicable as Electron Transporting Materials in Perovskite Solar Cells

Abstract

Hundreds of C₆₀ derivatives stand out as electrontransporting materials(ETMs), for example, in perovskite solar cells(PSCs), due to their properties on electron extraction or defect passivation. However, it still lacks of guidelines to update C₆₀-based ETMs with excellent photoelectric properties. In this work, crystallographic data of eight C₆₀-based ETMs, including pristine C₆₀ and the well-known PCBM as well as six newly synthesized fullerenes, are analyzed to establish the connections between derivatized structures and photoelectric properties for the typical carbon cluster of C₆₀. In terms of packing centroid-centroid distance between neighboring carbon cages, the crystallographic data are useful for probing photoelectric properties, such as electrochemical properties, electron mobility and photovoltaic performances, and therefore facilitate to design novel C₆₀-based ETMs for PSCs with high performances.

Keywords

Perovskite solar cell(PSC) / Electron transporting material (ETM) / Fullerene / Power conversion efficiency / Crystallographic understanding

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