4.7 Article

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

Journal

CHEMICAL COMMUNICATIONS
Volume 56, Issue 10, Pages 1589-1592

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/c9cc09270f

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Funding

  1. Swedish Energy Agency
  2. Swedish Research Council [SNIC 2018/7-57, SNIC 2018/7-62]
  3. China Scholarship Council (CSC)

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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).

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