Boosting the performance of D–A–D type hole-transporting materials for perovskite solar cells <i>via</i> tuning the acceptor group
Zhu‐Zhu Sun, Mengyao Hao, Shuai Feng, Wei‐Lu Ding, Xing‐Liang Peng
Abstract
Phenanthrothiadiazole (PT) and triphenylenobisthiadiazole (TBT) are proposed as the acceptor groups of D–A–D-type HTMs, and compared with the benzothiadiazole (BT) unit, three small molecule HTMs are investigated theoretically.
Topics & Concepts
ChemistryBoosting (machine learning)AcceptorPerovskite (structure)MoleculeGroup (periodic table)CrystallographyOrganic chemistryCondensed matter physicsPhysicsMachine learningComputer sciencePerovskite Materials and ApplicationsOrganic Electronics and PhotovoltaicsConducting polymers and applications