Fused Thiazine Tethered Metal-Free Dyes for Dye
Sensitized Solar Cells: A Computational Investigation
Keyword(s):
Three novel cyanoacetamide decorated phenothiazines (1a-c) have been designed. Structural and photo-physical properties of the molecules 1a-c have been investigated. To better realize the charge transport process involved in the dye-sensitized solar cells (DSSCs), computational studies have been performed using B3LYP and CAM-B3LYP method for the dyes 1a-c. Theoretical findings for DSSCs include LHE (light-harvesting efficiency) and driving forces such as electron injection (ΔGinject) and dye regeneration have been calculated to envisage the most appropriate dyes for the application of DSSC.
2010 ◽
Vol 114
(35)
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pp. 15165-15173
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Keyword(s):
2018 ◽
Vol 6
(42)
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pp. 11444-11456
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2012 ◽
Vol 116
(9)
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pp. 5965-5973
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2015 ◽
Vol 119
(16)
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pp. 8417-8430
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2018 ◽
Vol 376
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pp. 26-32
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2012 ◽
Vol 46
(2)
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pp. 024006
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