Basic Principle of Photoinduced Charge Separation for TiO2-TCNQ Surface Complex Revealed by a Multibody Model
JOURNAL OF PHYSICAL CHEMISTRY C(2020)
摘要
We found the color variation of the TiO2-TCNQ surface complex showing photoinduced direct charge transfer transitions. The charge separation is achieved at the same time as the photon absorption in this mechanism, while usual charge separation mechanisms appearing in photocatalysis and solar cells need two steps of reactions: generation of electronic excited states by photon absorption and injection of electrons from donor to acceptor. The color variation of the TiO2-TCNQ surface complexes enabled us to reveal a basic principle of photoinduced charge separation for the surface complex, that is, the relation between interfacial structures and photo properties, by measurements of absorption spectrum and FT-IR spectrum with DFT calculations. DFT calculations predicted no dependency of colorations of the TiO2-TCNQ surface complex on photoelectron conversion, and it was experimentally confirmed by observation of incident photon-to-current conversion efficiency spectra (IPCE). This agreement supports that the DFT calculation explains all the experiments in this work.
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