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

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

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%).

2045-2322
Vasilopoulou, Maria
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Kelaidis, Nikolaos
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Polydorou, Ermioni
98bfe710-9802-432e-83fa-63c4afd5bd05
Soultati, Anastasia
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Davazoglou, Dimitris
a946cf5d-287a-4734-ba55-b180ab4525ed
Argitis, Panagiotis
ab9c4ea6-3dd2-4e34-935d-81bfb360f358
Papadimitropoulos, Giorgos
b4f1ecba-cc8a-4882-99a5-a29354a9bca7
Tsikritzis, Dimitris
f86716a6-2f5f-49b2-bc9b-945217515bc6
Kennou, Stella
7ca6a6bd-6a05-4110-b3da-c8807f798370
Auras, Florian
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Georgiadou, Dimitra G.
84977176-3678-4fb3-a3dd-2044a49c853b
Christopoulos, Stavros Richard G.
94cf0357-12e5-4d52-94cb-60278d5fc075
Chroneos, Alexander
21a9fd88-4fd4-4ec9-a4a7-cefb9e4744c8
Vasilopoulou, Maria
aad1381e-d091-4090-8c7c-b74bed22393d
Kelaidis, Nikolaos
1532ed64-a04b-4531-ba8b-03759aa530f5
Polydorou, Ermioni
98bfe710-9802-432e-83fa-63c4afd5bd05
Soultati, Anastasia
75205fde-50fc-473e-ad72-ab0b3c6b2cb9
Davazoglou, Dimitris
a946cf5d-287a-4734-ba55-b180ab4525ed
Argitis, Panagiotis
ab9c4ea6-3dd2-4e34-935d-81bfb360f358
Papadimitropoulos, Giorgos
b4f1ecba-cc8a-4882-99a5-a29354a9bca7
Tsikritzis, Dimitris
f86716a6-2f5f-49b2-bc9b-945217515bc6
Kennou, Stella
7ca6a6bd-6a05-4110-b3da-c8807f798370
Auras, Florian
a56e7a96-fe76-4b9e-acd0-209f720a0a3e
Georgiadou, Dimitra G.
84977176-3678-4fb3-a3dd-2044a49c853b
Christopoulos, Stavros Richard G.
94cf0357-12e5-4d52-94cb-60278d5fc075
Chroneos, Alexander
21a9fd88-4fd4-4ec9-a4a7-cefb9e4744c8

Vasilopoulou, Maria, Kelaidis, Nikolaos, Polydorou, Ermioni, Soultati, Anastasia, Davazoglou, Dimitris, Argitis, Panagiotis, Papadimitropoulos, Giorgos, Tsikritzis, Dimitris, Kennou, Stella, Auras, Florian, Georgiadou, Dimitra G., Christopoulos, Stavros Richard G. and Chroneos, Alexander (2017) Hydrogen and nitrogen codoping of anatase TiO2 for efficiency enhancement in organic solar cells. Scientific Reports, 7 (1), [17839]. (doi:10.1038/s41598-017-18051-0).

Record type: Article

Abstract

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%).

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More information

Accepted/In Press date: 29 November 2017
e-pub ahead of print date: 19 December 2017
Published date: December 2017

Identifiers

Local EPrints ID: 439648
URI: http://eprints.soton.ac.uk/id/eprint/439648
ISSN: 2045-2322
PURE UUID: 89d2db58-5881-47a4-a0c1-9822d01c46cb
ORCID for Dimitra G. Georgiadou: ORCID iD orcid.org/0000-0002-2620-3346

Catalogue record

Date deposited: 29 Apr 2020 16:30
Last modified: 03 Mar 2021 02:57

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Contributors

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

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