Ruddlesden–Popper perovskite sulfides A[subscript 3]B[subscript 2]S[subscript 7]: A new family of ferroelectric photovoltaic materials for the visible spectrum
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Li_Ruddlesden-Popper.pdf
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Author(s)
Wang, Hua
Gou, Gaoyang
Li, Ju
Alternative Title
Ruddlesden–Popper perovskite sulfides A3B2S7: A new family of ferroelectric photovoltaic materials for the visible spectrum
Date Issued
February 2016
Journal
Nano Energy
Publisher
Elsevier
Citation
Wang, Hua, Gaoyang Gou, and Ju Li. “Ruddlesden–Popper Perovskite Sulfides A3B2S7: A New Family of Ferroelectric Photovoltaic Materials for the Visible Spectrum.” Nano Energy 22 (2016): 507–513.
Version
Final published version
Abstract
Perovskite ferroelectric materials exhibit the novel ferroelectric photovoltaic effect, where photon-excited electron–hole pairs can be separated by ferroelectric polarization. Especially, semiconducting ferroelectric materials with small band gaps (E[subscript g]) have been extensively studied for applications in solar energy conversion. Traditional route for creating semiconducting ferroelectrics requires cation doping, where E[subscript g] of the insulating perovskite ferroelectric oxides are reduced via substitution of certain cations. But cation doping tends to reduce the carrier mobility due to the scattering, and usually lead to poor photovoltaic efficiency. In the present work, based on first-principles calculations, we propose and demonstrate a new strategy for designing stoichiometric semiconducting perovskite ferroelectric materials. Specifically, we choose the parent non-polar semiconducting perovskite sulfides AB S[subscript 3] with Pnma symmetry, and turn them into ferroelectric Ruddlesden–Popper A[subscript 3]B[subscript 2]S[subscript 7] perovskites with spontaneous polarizations. Our predicted Ruddlesden–Popper Ca[subscript 3]Zr[subscript 2]S[subscript 7] and other derived compounds exhibit the room-temperature stable ferroelectricity, small band gaps (E[subscript g] < 2.2 eV) suitable for the absorption of visible light, and large visible-light absorption exceeding that of Si.
MIT Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering
Massachusetts Institute of Technology. Department of Nuclear Science and Engineering
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DOI of Published Version
https://doi.org/10.1016/j.nanoen.2016.02.036
