Modifying a D–A–π–A–D HTM system for higher hole mobility by themeta-substitution strategy to weaken the electron-donating ability of the donor unit: a DFT study

Abstract

Tuning the electron-donating ability (EDA) of donor unit of hole transporting materials (HTMs) is an efficient strategy to modulate the optoelectronic properties of HTMs. Based on the strategy, we first...

Theoretical calculations and experimental investigation toward the π-conjugated modulation in arylamine derivative-based hole transporting materials for perovskite solar cells

“…This demonstrates that the introduction of helical π-linkers serves as a potent means to expedite intermolecular hole transport among HTM molecules. Cheng et al 35 designed HTMs consisting of triphenylamine (TPA) as the end-capping group and different core units and investigated them using DFT and Marcus theory. They attempted to understand the effects of the core units on electron-donating abilities of the linear HTMs and showed the potential of HTMs for application in PSCs.…”