The DOI matches its Crossref record; 48 of the 48 references it cites were found in a registry or an index.
Ferroelectric Domain Wall Induced Band Gap Reduction and Charge Separation in Organometal Halide Perovskites
Abstract
Organometal halide perovskites have been intensely studied in the past 5 years, inspired by their certified high photovoltaic power conversion efficiency. Some of these materials are room-temperature ferroelectrics. The presence of switchable ferroelectric domains in methylammonium lead triiodide, CH3NH3PbI3, has recently been observed via piezoresponse force microscopy. Here, we focus on the structural and electronic properties of ferroelectric domain walls in CH3NH3PbX3 (X = Cl, Br, I). We find that organometal halide perovskites can form both charged and uncharged domain walls due to the flexible orientational order of the organic molecules. The electronic band gaps for domain structures possessing 180 and 90° walls are estimated with density functional theory. It is found that the presence of charged domain walls will significantly reduce the band gap by 20-40%, while the presence of uncharged domain walls has no substantial impact on the band gap. We demonstrate that charged domain walls can serve as segregated channels for the motions of charge carriers. These results highlight the importance of ferroelectric domain walls in hybrid perovskites for photovoltaic applications and suggest a possible avenue for device optimization through domain patterning.
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Cites
Generalized Gradient Approximation Made Simple
Perdew, J. P., Burke, K., & Ernzerhof, M. (1996) · Physical Review Letters · doi:10.1103/physrevlett.77.3865 · Cited by 215,824
Special points for Brillouin-zone integrations
Monkhorst, H. J., & Pack, J. D. (1976) · Physical Review B · doi:10.1103/physrevb.13.5188 · Cited by 71,721
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Chiarotti, G. L., Cococcioni, M., Dabo, I., et al. (2009) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/21/39/395502 · Cited by 29,281
Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells
Kojima, A., Teshima, K., Shirai, Y., & Miyasaka, T. (2009) · Journal of the American Chemical Society · doi:10.1021/ja809598r · Cited by 23,090
Hybrid functionals based on a screened Coulomb potential
Heyd, J., Scuseria, G. E., & Ernzerhof, M. (2003) · The Journal of Chemical Physics · doi:10.1063/1.1564060 · Cited by 19,629
Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites
Lee, M. M., Teuscher, J., Miyasaka, T., Murakami, T. N., & Snaith, H. J. (2012) · Science · doi:10.1126/science.1228604 · Cited by 10,687
Stranks, S. D., Eperon, G. E., Grancini, G., Menelaou, C., Alcocer, M. J. P., Leijtens, T., Herz, L. M., Petrozza, A., & Snaith, H. J. (2013) · Science · doi:10.1126/science.1243982 · Cited by 10,413
Sequential deposition as a route to high-performance perovskite-sensitized solar cells
Burschka, J., Pellet, N., Moon, S.-J., Humphry-Baker, R., Gao, P., Nazeeruddin, M. K., & Grätzel, M. (2013) · Nature · doi:10.1038/nature12340 · Cited by 9,547
Efficient planar heterojunction perovskite solar cells by vapour deposition
Liu, M., Johnston, M. B., & Snaith, H. J. (2013) · Nature · doi:10.1038/nature12509 · Cited by 7,976
Interface engineering of highly efficient perovskite solar cells
Zhou, H., Chen, Q., Li, G., Luo, S., Song, T.-B., Duan, H.-S., Hong, Z., You, J., Liu, Y., & Yang, Y. (2014) · Science · doi:10.1126/science.1254050 · Cited by 6,632
Cited by
Brenner, T. M., Egger, D. A., Kronik, L., Hodes, G., & Cahen, D. (2016) · Nature Reviews Materials · doi:10.1038/natrevmats.2015.7 · Cited by 1,557
Stability of Metal Halide Perovskite Solar Cells
Leijtens, T., Eperon, G. E., Noel, N. K., Habisreutinger, S. N., Petrozza, A., & Snaith, H. J. (2015) · Advanced Energy Materials · doi:10.1002/aenm.201500963 · Cited by 1,308
Understanding the physical properties of hybrid perovskites for photovoltaic applications
Huang, J., Yuan, Y., Shao, Y., & Yan, Y. (2017) · Nature Reviews Materials · doi:10.1038/natrevmats.2017.42 · Cited by 1,252
Neukirch, A. J., Nie, W., Blancon, J.-C., Appavoo, K., Tsai, H., Sfeir, M. Y., Katan, C., Pedesseau, L., Even, J., Crochet, J. J., et al. (2016) · Nano Letters · doi:10.1021/acs.nanolett.6b01218 · Cited by 299
Metadata
- Authors
- Liu, S., Zheng, F., Koocher, N. Z., Takenaka, H., Wang, F., & Rappe, A. M.
- Venue
- The Journal of Physical Chemistry Letters
- Publisher
- American Chemical Society (ACS)
- Published
- 2015-02-05
- Volume
- 6
- Issue
- 4
- Pages
- 693-699
- ISSN
- 1948-7185 (ISSN-L)
- OpenAlex
- W2329546516
- Cited by
- 331
- References
- 48
- FWCI
- 26.94
- Type
- journal article
- Language
- en
- Open access
- closed
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- Liu, S., Zheng, F., Koocher, N. Z., Takenaka, H., Wang, F., & Rappe, A. M. (2015). Ferroelectric Domain Wall Induced Band Gap Reduction and Charge Separation in Organometal Halide Perovskites. The Journal of Physical Chemistry Letters. https://doi.org/10.1021/jz502666j
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