# Evaluating Fluorinated-Aniline Units with Functionalized Spiro[Fluorene-9,9′-Xanthene] as Hole-Transporting Materials in Perovskite Solar Cells and Light-Emitting Diodes

## TL;DR

This paper explores new hole-transporting materials for perovskite solar cells and LEDs by modifying fluorinated aniline units on a spiro[fluorene-9,9′-xanthene] platform.

## Contribution

The study introduces four isomeric HTMs with varying fluorination positions and evaluates their performance in PSCs and PeLEDs.

## Key findings

- p-SFX-oF achieved a 15.21% power conversion efficiency in PSCs due to its deep HOMO level and good interface contact.
- m-SFX-mF reached 3.15% external quantum efficiency in PeLEDs because of its perched HOMO level and reduced band-gap.
- The position of fluorination on aniline units and substitutions on the SFX core significantly affect optoelectronic performance.

## Abstract

In the field of perovskite optoelectronics, developing hole-transporting materials (HTMs) on the spiro[fluorene-9,9′-xanthene] (SFX) platform is one of the current research focuses. The SFX inherits the merits of spirobifluorene in terms of the configuration and property, but it is more easily derivatized and regulated by virtue of its binary structure. In this work, we design and synthesize four isomeric SFX-based HTMs, namely m-SFX-mF, p-SFX-mF, m-SFX-oF, and p-SFX-oF, through varying the positions of fluorination on the peripheral aniline units and their substitutions on the SFX core, and the optoelectronic performance of the resulting HTMs is evaluated in both perovskite solar cells (PSCs) and light-emitting diodes (PeLEDs) by the vacuum thermal evaporating hole-transporting layers (HTLs). The HTM p-SFX-oF exhibits an improved power conversion efficiency of 15.21% in an inverted PSC using CH3NH3PbI3 as an absorber, benefiting from the deep HOMO level and good HTL/perovskite interface contact. Meanwhile, the HTM m-SFX-mF provides a maximum external quantum efficiency of 3.15% in CsPb(Br/Cl)3-based PeLEDs, which is attributed to its perched HOMO level and shrunken band-gap for facilitating charge carrier injection and then exciton combination. Through elucidating the synergistic position effect of fluorination on aniline units and their substitutions on the SFX core, this work lays the foundation for developing low-cost and efficient HTMs in the future.