材料科学
烷基
堆积
钙钛矿(结构)
半导体
有机半导体
玻璃化转变
结晶度
化学物理
结晶学
纳米技术
化学工程
有机化学
聚合物
光电子学
化学
工程类
复合材料
作者
Lingyi Fang,Yuyan Zhang,Tianyu Li,Yuefang Wei,Yi Yuan,Jing Zhang,Peng Wang
标识
DOI:10.1002/aenm.202301455
摘要
Abstract Polycyclic aromatic hydrocarbons play a critical role in the development of organic semiconductors. This study unravels the impact of alkyl substitution position on the molecular energy level, glass transition temperature, diffusion of external species, and hole transport of a pyrrole‐rich, helical polycyclic heteroaromatic, that is TBPC. Compared to terminal substitution, internal hexyl substitution results in steric repulsion with TBPC, weakening π─π stacking and therefore improving thin film morphology. Internal substitution also reduces energy disorder, lowers reorganization energy, and increases intermolecular transfer integrals, leading to enhanced hole mobility. Notably, the organic semiconductor with internal hexyl substitution (TBPC‐611) exhibits a higher molecular packing density, resulting in a markedly higher glass transition temperature and slower diffusion of external species. Using TBPC‐611 as the hole transport material, this work successfully fabricates perovskite solar cells with an average power conversion efficiency above 24%, showing good photostability and thermostability. These findings contribute new insights to the development of high‐performance organic semiconductors.
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