Molecular design of dibenzo[g,p]chrysene-based hole-transporting materials for perovskite solar cells: A theoretical study
Zhu‐Zhu Sun, Shuai Feng, Wei‐Lu Ding, Xing‐Liang Peng, Jian Guan, Zhiqiang Zhao
Topics & Concepts
Marcus theoryConjugated systemMaterials scienceDensity functional theoryThiopheneHOMO/LUMOIntermolecular forceSide chainChemistryChemical physicsPhotochemistryMoleculeComputational chemistryPolymerOrganic chemistryPhysicsReaction rate constantKineticsQuantum mechanicsPerovskite Materials and ApplicationsOrganic Electronics and PhotovoltaicsOrganic Light-Emitting Diodes Research