Tuning range-separated hybrids for Y6 shows shorter range-separation parameters improve accuracy for non-fullerene acceptors, with solvatochromism partly from oscillator strength borrowing between charge-transfer and Frenkel excitons.
Kümmel, Charge-transfer excitations: a challenge for time-dependent density functional theory that has been met, Advanced Energy Materials 7, 1700440 (2017)
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
cond-mat.mtrl-sci 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
Correcting hybrid density functionals to model Y6 and other non-fullerene acceptors
Tuning range-separated hybrids for Y6 shows shorter range-separation parameters improve accuracy for non-fullerene acceptors, with solvatochromism partly from oscillator strength borrowing between charge-transfer and Frenkel excitons.