Ruddlesden–Popper perovskite sulfides A[subscript 3]B[subscript 2]S[subscript 7]: A new family of ferroelectric photovoltaic materials for the visible spectrum
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...
| Main Authors: | , , |
|---|---|
| Other Authors: | |
| Format: | Article |
| Language: | en_US |
| Published: |
Elsevier
2016
|
| Online Access: | http://hdl.handle.net/1721.1/105243 https://orcid.org/0000-0002-7841-8058 |
| _version_ | 1826198338842656768 |
|---|---|
| author | Wang, Hua Gou, Gaoyang Li, Ju |
| author2 | Massachusetts Institute of Technology. Department of Materials Science and Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Materials Science and Engineering Wang, Hua Gou, Gaoyang Li, Ju |
| author_sort | Wang, Hua |
| collection | MIT |
| description | 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. |
| first_indexed | 2024-09-23T11:03:18Z |
| format | Article |
| id | mit-1721.1/105243 |
| institution | Massachusetts Institute of Technology |
| language | en_US |
| last_indexed | 2024-09-23T11:03:18Z |
| publishDate | 2016 |
| publisher | Elsevier |
| record_format | dspace |
| spelling | mit-1721.1/1052432022-09-27T16:51:18Z Ruddlesden–Popper perovskite sulfides A[subscript 3]B[subscript 2]S[subscript 7]: A new family of ferroelectric photovoltaic materials for the visible spectrum Ruddlesden–Popper perovskite sulfides A3B2S7: A new family of ferroelectric photovoltaic materials for the visible spectrum Wang, Hua Gou, Gaoyang Li, Ju Massachusetts Institute of Technology. Department of Materials Science and Engineering Massachusetts Institute of Technology. Department of Nuclear Science and Engineering Li, Ju 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. National Basic Research Program of China (973 Program) (Contract 2012CB619402) National Natural Science Foundation (China) (Contract 11574244) China. Ministry of Education (Program for Innovative Research Team in University. Contract IRT13034) National Science Foundation (U.S.) (Grant DMR-1410636) 2016-11-07T22:02:04Z 2016-11-07T22:02:04Z 2016-02 2016-02 Article http://purl.org/eprint/type/JournalArticle 2211-2855 http://hdl.handle.net/1721.1/105243 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. https://orcid.org/0000-0002-7841-8058 en_US http://dx.doi.org/10.1016/j.nanoen.2016.02.036 Nano Energy Creative Commons Attribution-NonCommercial-NoDerivs License http://creativecommons.org/licenses/by-nc-nd/4.0/ application/pdf Elsevier Elsevier |
| spellingShingle | Wang, Hua Gou, Gaoyang Li, Ju Ruddlesden–Popper perovskite sulfides A[subscript 3]B[subscript 2]S[subscript 7]: A new family of ferroelectric photovoltaic materials for the visible spectrum |
| title | Ruddlesden–Popper perovskite sulfides A[subscript 3]B[subscript 2]S[subscript 7]: A new family of ferroelectric photovoltaic materials for the visible spectrum |
| title_full | Ruddlesden–Popper perovskite sulfides A[subscript 3]B[subscript 2]S[subscript 7]: A new family of ferroelectric photovoltaic materials for the visible spectrum |
| title_fullStr | Ruddlesden–Popper perovskite sulfides A[subscript 3]B[subscript 2]S[subscript 7]: A new family of ferroelectric photovoltaic materials for the visible spectrum |
| title_full_unstemmed | Ruddlesden–Popper perovskite sulfides A[subscript 3]B[subscript 2]S[subscript 7]: A new family of ferroelectric photovoltaic materials for the visible spectrum |
| title_short | Ruddlesden–Popper perovskite sulfides A[subscript 3]B[subscript 2]S[subscript 7]: A new family of ferroelectric photovoltaic materials for the visible spectrum |
| title_sort | ruddlesden popper perovskite sulfides a subscript 3 b subscript 2 s subscript 7 a new family of ferroelectric photovoltaic materials for the visible spectrum |
| url | http://hdl.handle.net/1721.1/105243 https://orcid.org/0000-0002-7841-8058 |
| work_keys_str_mv | AT wanghua ruddlesdenpopperperovskitesulfidesasubscript3bsubscript2ssubscript7anewfamilyofferroelectricphotovoltaicmaterialsforthevisiblespectrum AT gougaoyang ruddlesdenpopperperovskitesulfidesasubscript3bsubscript2ssubscript7anewfamilyofferroelectricphotovoltaicmaterialsforthevisiblespectrum AT liju ruddlesdenpopperperovskitesulfidesasubscript3bsubscript2ssubscript7anewfamilyofferroelectricphotovoltaicmaterialsforthevisiblespectrum AT wanghua ruddlesdenpopperperovskitesulfidesa3b2s7anewfamilyofferroelectricphotovoltaicmaterialsforthevisiblespectrum AT gougaoyang ruddlesdenpopperperovskitesulfidesa3b2s7anewfamilyofferroelectricphotovoltaicmaterialsforthevisiblespectrum AT liju ruddlesdenpopperperovskitesulfidesa3b2s7anewfamilyofferroelectricphotovoltaicmaterialsforthevisiblespectrum |