Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/142868
Title: Theoretical prediction of chiral 3D hybrid organic-inorganic perovskites
Authors: Long, Guankui
Zhou, Yecheng
Zhang, Mingtao
Sabatini, Randy
Rasmita, Abdullah
Huang, Li
Lakhwani, Girish
Gao, Weibo
Keywords: Science::Physics
Issue Date: 2019
Source: Long, G., Zhou, Y., Zhang, M., Sabatini, R., Rasmita, A., Huang, L., . . . Gao, W. (2019). Theoretical prediction of chiral 3D hybrid organic-inorganic perovskites. Advanced Materials, 31(17), 1807628-. doi:10.1002/adma.201807628
Journal: Advanced Materials
Abstract: Hybrid organic-inorganic perovskites (HOIPs), in particular 3D HOIPs, have demonstrated remarkable properties, including ultralong charge-carrier diffusion lengths, high dielectric constants, low trap densities, tunable absorption and emission wavelengths, strong spin-orbit coupling, and large Rashba splitting. These superior properties have generated intensive research interest in HOIPs for high-performance optoelectronics and spintronics. Here, 3D hybrid organic-inorganic perovskites that implant chirality through introducing the chiral methylammonium cation are demonstrated. Based on structural optimization, phonon spectra, formation energy, and ab initio molecular dynamics simulations, it is found that the chirality of the chiral cations can be successfully transferred to the framework of 3D HOIPs, and the resulting 3D chiral HOIPs are both kinetically and thermodynamically stable. Combining chirality with the impressive optical, electrical, and spintronic properties of 3D perovskites, 3D chiral perovskites is of great interest in the fields of piezoelectricity, pyroelectricity, ferroelectricity, topological quantum engineering, circularly polarized optoelectronics, and spintronics.
URI: https://hdl.handle.net/10356/142868
ISSN: 0935-9648
DOI: 10.1002/adma.201807628
Rights: This is the accepted version of the following article: Long, G., Zhou, Y., Zhang, M., Sabatini, R., Rasmita, A., Huang, L., . . . Gao, W. (2019). Theoretical prediction of chiral 3D hybrid organic-inorganic perovskites. Advanced Materials, 31(17), 1807628-, which has been published in final form at http://dx.doi.org/10.1002/adma.201807628. This article may be used for non-commercial purposes in accordance with the Wiley Self-Archiving Policy [https://authorservices.wiley.com/authorresources/Journal-Authors/licensing/self-archiving.html].
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:SPMS Journal Articles

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