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Facet-dependent catalytic activity of platinum nanocrystals for triiodide reduction in dye-sensitized solar cells

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Authors
Zhang, B.
Wang, D.
Hou, Y.
Yang, S.
Yang, X.
Zhong, J.
Liu, Jian
Wang, H.
Hu, P.
Zhao, H.
Yang, H.
Date
2013
Type
Journal Article

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Zhang, Bo and Wang, Dong and Hou, Yu and Yang, Shuang and Yang, Xiao Hua and Zhong, Ju Hua and Liu, Jian and Wang, Hai Feng and Hu, P. and Zhao, Hui Jun and Yang, Hua Gui. 2013. Facet-dependent catalytic activity of platinum nanocrystals for triiodide reduction in dye-sensitized solar cells. Scientific Reports. 3 (Article 1836): pp. 1-7.
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Scientific Reports
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This article is published under the Open Access publishing model and distributed under the terms of the Creative Commons Attribution License http://creativecommons.org/licenses/by/3.0/. Please refer to the licence to obtain terms for any further reuse or distribution of this work.

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Abstract

Platinum (Pt) nanocrystals have demonstrated to be an effective catalyst in many heterogeneous catalytic processes. However, pioneer facets with highest activity have been reported differently for various reaction systems. Although Pt has been the most important counter electrode material for dye-sensitized solar cells (DSCs), suitable atomic arrangement on the exposed crystal facet of Pt for triiodide reduction is still inexplicable. Using density functional theory, we have investigated the catalytic reaction processes of triiodide reduction over {100}, {111} and {411} facets, indicating that the activity follows the order of Pt(111) > Pt(411) > Pt(100). Further, Pt nanocrystals mainly bounded by {100}, {111} and {411} facets were synthesized and used as counter electrode materials for DSCs. The highest photovoltaic conversion efficiency of Pt(111) in DSCs confirms the predictions of the theoretical study. These findings have deepened the understanding of the mechanism of triiodide reduction at Pt surfaces and further screened the best facet for DSCs successfully.