Metal-free chiral molecular ferroelectric photovoltaics
CHEMICAL ENGINEERING JOURNAL(2023)
Abstract
Ferroelectric semiconductors have gained significant attraction for designing photovoltaic devices. However, their wide bandgap results in poor absorption of visible light. Herein, we report a pair of chiral metal-free molecular ferroelectric semiconductors (1R,4R/1S,4S- C5H10NO)I-3 (R/S-OABHI; (1R,4R/1S,4S- C5H10NO)(+) = 1R,4R/1S,4S-2-oxa-5-azabicyclo[2.2.1]heptonium) with notable ferroelectricity (saturation polarization of similar to 6.8 and 6.1 mu C/cm(2) for R-/S-OABHI, respectively). They demonstrate an appropriate photovoltaic bandgap of similar to 1.41 and 1.39 eV for R-/S-OABHI, respectively, comparable to MAPbI(3) (MA = methylammonium). Experiments and computational simulations reveal that the ferroelectricity of R/S-OABHI originates from their non-centrosymmetric crystal packing in a controllable helical manner, while the I-3(-) contributes to band edges. Meanwhile, photovoltaic effect is firstly observed in the R-OABHI based solar cell with an open-circuit voltage of 0.581 V and a short-circuit current density of 1.734 mA/cm(2). Overall, we establish a new approach for realizing metal-free ferroelectric photovoltaics, and it will pave the way for the exploration of multifunctional chiral molecular ferroelectrics.
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Key words
Metal-free ferroelectric,Chiral ferroelectric,Ferroelectric semiconductors,Ferroelectric photovoltaics
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