Tuned LC-ωPBE TDDFT screening of 27 heteroatom-doped D-π-A dyes identifies boron-rich motifs as narrowing the HOMO-LUMO gap and red-shifting charge-transfer excitations for improved DSSC light harvesting.
Bridge effect on the charge transfer and optoelectronic properties of triphenylamine - based organic dye sensitized solar cells: theoretical ap- proach
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Frontier Orbital Engineering in Heteroatom-Doped Prototypical Organic Dyes for Dye-Sensitized Solar Cells
Tuned LC-ωPBE TDDFT screening of 27 heteroatom-doped D-π-A dyes identifies boron-rich motifs as narrowing the HOMO-LUMO gap and red-shifting charge-transfer excitations for improved DSSC light harvesting.