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

doi:10.1039/C9CC09270F

Single crystal structure and opto-electronic properties of oxidized Spiro-OMeTAD†

Wei Zhang,

^a Linqin Wang,^b Yu Guo,^a Biaobiao Zhang,

^b Valentina Leandri,^a Bo Xu,

^b Zhuofeng Li,

^a James M. Gardner,

^a Licheng Sun

^bc and Lars Kloo

*^a

Author affiliations

* Corresponding authors

^a Department of Chemistry, Applied Physical Chemistry, KTH Royal Institute of Technology, SE-10044 Stockholm, Sweden
E-mail: lakloo@kth.se

^b Department of Chemistry, Organic Chemistry, KTH Royal Institute of Technology, SE-10044 Stockholm, Sweden

^c State Key Laboratory of Fine Chemicals, DUT-KTH Joint Research Center on Molecular Devices, Dalian University of Technology (DUT), 116024 Dalian, China

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.

Chemical Communications

Single crystal structure and opto-electronic properties of oxidized Spiro-OMeTAD†

Abstract

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Single crystal structure and opto-electronic properties of oxidized Spiro-OMeTAD

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