Hydrogen and nitrogen codoping of anatase TiO2 for efficiency enhancement in organic solar cells

Maria Vasilopoulou, Nikolaos Kelaidis, Ermioni Polydorou, Anastasia Soultati, Dimitris Davazoglou, Panagiotis Argitis, Giorgos Papadimitropoulos, Dimitris Tsikritzis, Stella Kennou, Florian Auras, Dimitra G. Georgiadou, Stavros Richard G. Christopoulos, Alexander Chroneos

Research output: Contribution to journalArticlepeer-review

26 Citations (Scopus)


TiO2 has high chemical stability, strong catalytic activity and is an electron transport material in organic solar cells. However, the presence of trap states near the band edges of TiO2 arising from defects at grain boundaries significantly affects the efficiency of organic solar cells. To become an efficient electron transport material for organic photovoltaics and related devices, such as perovskite solar cells and photocatalytic devices, it is important to tailor its band edges via doping. Nitrogen p-type doping has attracted considerable attention in enhancing the photocatalytic efficiency of TiO2 under visible light irradiation while hydrogen n-type doping increases its electron conductivity. DFT calculations in TiO2 provide evidence that nitrogen and hydrogen can be incorporated in interstitial sites and possibly form NiHi, NiHO and NTiHi defects. The experimental results indicate that NiHi defects are most likely formed and these defects do not introduce deep level states. Furthermore, we show that the efficiency of P3HT:IC60BA-based organic photovoltaic devices is enhanced when using hydrogen-doping and nitrogen/hydrogen codoping of TiO2, both boosting the material n-type conductivity, with maximum power conversion efficiency reaching values of 6.51% and 6.58%, respectively, which are much higher than those of the cells with the as-deposited (4.87%) and nitrogen-doped TiO2 (4.46%).

Original languageEnglish
Article number17839
Number of pages11
JournalScientific Reports
Issue number1
Publication statusPublished - 1 Dec 2017
Externally publishedYes


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