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Rigidified and expanded N-annulated perylenes as efficient donors in organic sensitizers for application in solar cellsElectronic supplementary information (ESI) available: Optimized structures of the dyes and dye–TiO2 complexes; the frontier orbitals; properties related to the ICT (DCT and LOL-π); calculated HOMO energy levels and maximum absorption wavelengths of dyes A1, A2, and A3 with different functionals in THF solution. See DOI: 10.1039/c9cp00779b

Li, Ping; Wang, Zhixiang; Zhang, Houyu

Physical chemistry chemical physics. Volume 21:Issue 20 (2019); pp 10488-10496 -- Royal Society of Chemistry

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