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Solar power utilization plays an important role in turning energy systems towards sustainability.The dye-sensitized solar cell is the only solar cell that mimics the photosynthesis process in a green
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Solar power utilization plays an important role in turning energy systems towards sustainability.The dye-sensitized solar cell is the only solar cell that mimics the photosynthesis process in a green leaf.Recently,Prof.Xia group in Xiamen University has successfully synthesized a stable osmapentalyne compound with outstanding optical properties.Based on the metallacycle,herein we designed a series of aromatic heterocyclic compounds and their photoelectronic properties were investigated by extensive calculations.Effects of structural modification on the light harvesting ability and charge separation have be evaluated and discussed.
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