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

Zhang, Wei, 1989- (author)
KTH,Tillämpad fysikalisk kemi
Wang, Linqin (author)
KTH,Organisk kemi
Guo, Yu (author)
KTH,Tillämpad fysikalisk kemi
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Zhang, Biaobiao (author)
KTH,Organisk kemi
Leandri, Valentina (author)
KTH,Tillämpad fysikalisk kemi
Xu, Bo (author)
KTH,Organisk kemi
Li, Zhuofeng (author)
KTH,Tillämpad fysikalisk kemi
Gardner, James M., 1982- (author)
KTH,Tillämpad fysikalisk kemi
Sun, Licheng, 1962- (author)
KTH,Organisk kemi,Molekylär elektronik, CMD
Kloo, Lars (author)
KTH,Tillämpad fysikalisk kemi
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 (creator_code:org_t)
Royal Society of Chemistry, 2020
2020
English.
In: Chemical Communications. - : Royal Society of Chemistry. - 1359-7345 .- 1364-548X. ; 56:10, s. 1589-1592
  • Journal article (peer-reviewed)
Abstract Subject headings
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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.

Subject headings

NATURVETENSKAP  -- Kemi (hsv//swe)
NATURAL SCIENCES  -- Chemical Sciences (hsv//eng)

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ref (subject category)
art (subject category)

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