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Isomeric Dithienothiophene-Based Hole Transport Materials: Role of Sulphur Atoms Positions on Photovoltaic Performance of Inverted Perovskite Solar Cells

机译:Isomeric Dithienothiophene-Based Hole Transport Materials: Role of Sulphur Atoms Positions on Photovoltaic Performance of Inverted Perovskite Solar Cells

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摘要

Hole transport materials (HTMs) are of great significance to improve theefficiency and long-term stability of perovskite solar cells (PVSCs). Herein, aseries of new HTMs based on isomeric dithienothiophene (DTT) are designedand synthesized. Effects of sulphur (S) atoms positions on defect passivationand performance of PVSCs are systematically investigated through theoreticalcomputation, X-ray diffraction, X-ray photoelectron spectroscopy, etc.The three molecules display noticeable isomeric effect in energy level, lightabsorption, and hole mobility. With S atoms varied from bottom-bottombottomin 3T-1 to bottom-bottom-top in 3T-2, then to bottom-top-bottom in3T-3, the grown perovskite crystallite on the corresponding HTMs showsmore homeogenous film morphology and less pinhole traps. Meanwhile,nonradiative recombination losses can be suppressed and hole extractionefficiency at HTM/perovskite surface can be improved from 3T-1 to 3T-3.As a result, the remarkable improvement of short-circuit current density ndopen-circuit voltage in inverted perovskite solar cells can be realized withincreasing the sulphur atoms contribution to the molecular conjugation.More importantly, 3T-3-based dopant-free HTM achieves a top power conversionefficiency of 19.23% in PVSCs with good device stability under greensolvent processing. These results demonstrate the role of S atoms positionsin HTMs on photovoltaic performance of PVSCs and the potential of DTT indeveloping eco-friendly HTMs toward efficient PVSCs.

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