Enhancement Mechanism of the Conversion Effficiency of Dye-Sensitized Solar Sells Based on Nitrogen-, Fluorine-, and Iodine-Doped TiO2 Photoanodes

详细信息    查看全文

• 作者：Mang Niu ; Rong Cui ; Hao Wu ; Daojian Cheng ; Dapeng Cao
• 刊名：Journal of Physical Chemistry C
• 出版年：2015
• 出版时间：June 18, 2015
• 年：2015
• 卷：119
• 期：24
• 页码：13425-13432
• 全文大小：483K
• ISSN：1932-7455

文摘

We 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.