Single crystal structure and opto-electronic properties of oxidized Spiro-OMeTAD
Wei Zhang, Linqin Wang, Yu Guo, Biaobiao Zhang, Valentina Leandri, Bo Xu, Zhuofeng Li, James M. Gardner, Licheng Sun, Lars Kloo
Abstract
Single crystals of Spiro(TFSI)2 were grown, the optical and electronic properties were characterized and compared with neutral Spiro-OMeTAD. Density-functional theory was used to get insights into binding and band structure properties. The flat valence bands indicate a rather limited orbital overlap in Spiro(TFSI)2.
Topics & Concepts
ChemistryCrystal (programming language)CrystallographyMaterials scienceComputer scienceProgramming languagePerovskite Materials and ApplicationsPolyoxometalates: Synthesis and ApplicationsOrganic and Molecular Conductors Research