Journal
NATURE COMMUNICATIONS
Volume 4, Issue -, Pages -Publisher
NATURE RESEARCH
DOI: 10.1038/ncomms2547
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Funding
- National Natural Science Foundation of China [20973059, 91022023, 21076076, 21203061]
- Shanghai Institutions of Higher Learning, Shanghai Municipal Natural Science Foundation [12ZR1407500]
- Major Basic Research Programme of Science and Technology Commission of Shanghai Municipality [10JC1403200]
- Australian Research Council's Future Fellowships [FT120100913]
- Commission of Science and Technology of Shanghai Municipality [12ZR1442600]
- Chinese Government for the 'Thousands Talents' program
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Dye-sensitized solar cells have attracted intense research attention owing to their ease of fabrication, cost-effectiveness and high efficiency in converting solar energy. Noble platinum is generally used as catalytic counter electrode for redox mediators in electrolyte solution. Unfortunately, platinum is expensive and non-sustainable for long-term applications. Therefore, researchers are facing with the challenge of developing low-cost and earth-abundant alternatives. So far, rational screening of non-platinum counter electrodes has been hamstrung by the lack of understanding about the electrocatalytic process of redox mediators on various counter electrodes. Here, using first-principle quantum chemical calculations, we studied the electrocatalytic process of redox mediators and predicted electrocatalytic activity of potential semiconductor counter electrodes. On the basis of theoretical predictions, we successfully used rust (alpha-Fe2O3) as a new counter electrode catalyst, which demonstrates promising electrocatalytic activity towards triiodide reduction at a rate comparable to platinum.
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