The DOI matches its Crossref record; 3 of the 3 references it cites were found in a registry or an index.
First-Principles Calculation of the Bulk Photovoltaic Effect in CH3NH3PbI3 and CH3NH3PbI3–xClx
Open accessAbstract
Hybrid halide perovskites exhibit nearly 20% power conversion efficiency, but the origin of their high efficiency is still unknown. Here, we compute the shift current, a dominant mechanism of the bulk photovoltaic (PV) effect for ferroelectric photovoltaics, in CH 3 NH 3 PbI 3 and CH 3 NH 3 PbI 3– x Cl x from first-principles. We find that these materials give approximately three times larger shift current PV response to near-IR and visible light than the prototypical ferroelectric photovoltaic BiFeO 3 . The molecular orientations of CH 3 NH 3 + can strongly affect the corresponding PbI 3 inorganic frame so as to alter the magnitude of the shift current response. Specifically, configurations with dipole moments aligned in parallel distort the inorganic PbI 3 frame more significantly than configurations with near-net-zero dipole, yielding a larger shift current response. Furthermore, we explore the effect of Cl substitution on shift current and find that Cl substitution at the equatorial site induces a larger response than does substitution at the apical site.
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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
Kim, H.-S., Lee, C.-R., Im, J.-H., Lee, K.-B., Moehl, T., Marchioro, A., Moon, S.-J., Humphry-Baker, R., Yum, J.-H., Moser, J. E., et al. (2012) · Scientific Reports · doi:10.1038/srep00591 · Cited by 8,092
Solvent engineering for high-performance inorganic–organic hybrid perovskite solar cells
Jeon, N. J., Noh, J. H., Kim, Y. C., Yang, W. S., Ryu, S., & Seok, S. I. (2014) · Nature Materials · doi:10.1038/nmat4014 · Cited by 6,723
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
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
Progress on Perovskite Materials and Solar Cells with Mixed Cations and Halide Anions
Ono, L. K., Juarez-Perez, E. J., & Qi, Y. (2017) · ACS Applied Materials & Interfaces · doi:10.1021/acsami.7b06001 · Cited by 593
Rashba Spin–Orbit Coupling Enhanced Carrier Lifetime in CH3NH3PbI3
Zheng, F., Tan, L. Z., Liu, S., & Rappe, A. M. (2015) · Nano Letters · doi:10.1021/acs.nanolett.5b01854 · Cited by 507
Self-citationColossal mid-infrared bulk photovoltaic effect in a type-I Weyl semimetal
Osterhoudt, G. B., Diebel, L. K., Gray, M. J., Yang, X., Stanco, J., Huang, X., Shen, B., Ni, N., Moll, P. J. W., Ran, Y., et al. (2019) · Nature Materials · doi:10.1038/s41563-019-0297-4 · Cited by 399
Metadata
- Authors
- Zheng, F., Takenaka, H., Wang, F., Koocher, N. Z., & Rappe, A. M.
- Venue
- The Journal of Physical Chemistry Letters
- Publisher
- American Chemical Society (ACS)
- Published
- 2014-12-10
- Volume
- 6
- Issue
- 1
- Pages
- 31-37
- ISSN
- 1948-7185 (ISSN-L)
- OpenAlex
- W2318483779
- Cited by
- 207
- References
- 3
- FWCI
- 14.33
- Type
- journal article
- Language
- en
- Open access
- green
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