jp5b02652_si_001.pdf (440.61 kB)
Enhancement Mechanism of the Conversion Effficiency of Dye-Sensitized Solar Cells Based on Nitrogen‑, Fluorine‑, and Iodine-Doped TiO2 Photoanodes
journal contribution
posted on 2015-06-18, 00:00 authored by Mang Niu, Rong Cui, Hao Wu, Daojian Cheng, Dapeng CaoWe investigated the electronic structures of N-, F-, and I-doped
anatase TiO2 to explore the enhancement mechanism of incident
photon-to-current conversion efficiency (IPCE) in dye-sensitized solar
cells (DSSCs) based on N-, F-, and I-doped anatase TiO2 photoanodes. The hybrid density functional calculation results indicate
that n-type F and I doping is better than p-type N doping. The incorporation
of I dopant is very favorable to improve the conductivity, the open-circuit
voltage, and the visible-light absorption of anatase TiO2. Moreover, the I doping can facilitate the electron injection from
the dye molecule to the TiO2 substrate by analyzing the
calculated electronic properties of adsorbed dye/TiO2 complexes.
As a result, the I doping can significantly enhance the IPCE of DSSCs.
In addition, it is found that the metallic n-type doping on the Ti
site of the TiO2 photoanode can be an effective approach
to improve the performance of DSSCs. It is expected that this work
can provide valuable information for the development of TiO2-based DSSCs.