Charge and Energy Transport in Two-Dimensional Hybrid Perovskite Materials
Interdisciplinary Areas: | Engineering and Healthcare/Medicine/Biology, Data/Information/Computation, Micro-, Nano-, and Quantum Engineering, Power, Energy, and the Environment |
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Project Description
Two-dimensional halide perovskites are an ascendant electronic materials class with highly tunable properties and improved stability relative to their bulk three-dimensional analogs. One unique aspect of these materials is that they can incorporate multifunctional organic cations that supplement the semiconducting functionality of the inorganic perovskite layer. However, to date all organic cations that have been incorporated into these materials are based on insulating alkyl ammonium linkages that minimize the electronic coupling between the organic and perovskite layers. The goal of this project is to investigate a novel class of conjugated cations that are capable of directly hybridizing with the perovskite to improve the charge and energy transfer within and between the organic and inorganic components. Successful incorporation of this class of cations would create a new design paradigm within two-dimensional perovskites with relevance to photovoltaics and transistor applications. Combined quantum and classical molecular modeling will be utilized to interrogate these novel materials in collaboration with synthetic groups that will make and test promising prototypes. This combined approach is proposed with a stellar postdoctoral candidate in mind that will be capable of learning and applying the suite of computational methods necessary to study this exciting class of materials.
Start Date
4/1/20
Postdoc Qualifications
Strong theory and computational background
Interest in research leadership and mentorship
Interest in communicating and collaborating with experimental groups
Co-advisors
Brett Savoie
bsavoie@purdue.edu
Chemical Engineering
https://engineering.purdue.edu/savoiegroup/
Peilin Liao
lpl@purdue.edu
Materials Engineering
https://sites.google.com/view/lpl
References
Gumyusenge, A.; Tran, D. T.; Luo, X.; Pitch, G. M.; Zhao, Y.; Jenkins, K. A.; Dunn, T. J.; Ayzner, A. L.; Savoie, B. M.; Mei, J. Science 2018, 362 (6419), 1131–1134.
Joo, Y.; Agarkar, V.; Sung, S. H.; Savoie, B. M.; Boudouris, B. W. Science 2018, 359 (6382), 1391–1395.
Song, H.; Zhu, H.; Huang, Z.; Zhang, Y.; Zhao, W.; Liu, J.; Chen, Q.; Yin, C.; Xing, L.; Peng, Z.; Liao, P.; Wang, P.; Wang, P.; Wu, K. ACS Nano 2019, 13 (6), 7202–7208.
Song, F.; Li, W.; Yang, J.; Han, G.; Yan, T.; Liu, X.; Rao, Y.; Liao, P.; Cao, Z.; Sun, Y. ACS Energy Letters 2019, 4 (7), 1594–1601.