Effects of lateral-chain thiophene fluorination on morphology and charge transport of BDT-T based small molecule donors: a study with multiscale simulations
Chunlin Xu, Chuang Yao, Shaohui Zheng
Abstract
The number and position of fluorinations on BDT-Ts affect morphology by changing molecule stacking patterns, and the trend of hole mobility is consistent with that of the proportion of face-on configurations.
Topics & Concepts
ThiopheneStackingMaterials scienceMoleculeCharge (physics)Small moleculeMorphology (biology)Chemical physicsPosition (finance)Electron mobilityComputational chemistryOptoelectronicsChemistryNuclear magnetic resonancePhysicsOrganic chemistryEconomicsQuantum mechanicsFinanceGeneticsBiochemistryBiologyOrganic Electronics and PhotovoltaicsMolecular Junctions and NanostructuresAdvancements in Semiconductor Devices and Circuit Design