About this Abstract |
Meeting |
2020 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Discovery and Design of Emerging Materials
|
Presentation Title |
First-principles-based Hybrid Perovskite Materials Design for Memristor |
Author(s) |
Donghwa Lee, Seong Hun Kim |
On-Site Speaker (Planned) |
Donghwa Lee |
Abstract Scope |
MAPbI3-based memristors have attracted many researchers since it shows various advantages such as forming-free operation, a low operating voltage, high on/off ratio. However, low endurance and retention time needs to be overcome for its practical application. Thus, there are pressing need to develop alternative perovskite materials. However, the combinations of organic molecules and inorganic constituents are too numerous to investigate all possible candidate materials experimentally. In this study, therefore, a computational approach is used to find out alternative perovskite materials that can replace conventional MAPbI3-based hybrid perovskite materials. We have extensively studied numerous candidate materials by incorporating different transition metal elements or organic molecules into various backbone structures to find out new perovskite materials. Our study has identified a couple of candidates that can possibly apply for the resistance switching layer. In addition, analysis on electronic structure has led the understanding of the relationship between constituent elements and properties. |
Proceedings Inclusion? |
Planned: Supplemental Proceedings volume |