About this Abstract |
Meeting |
2020 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Discovery and Design of Emerging Materials
|
Presentation Title |
L-17: Searching for Electrical Conductivity Tunable Organic Molecules for Single-molecule Electronics |
Author(s) |
Weiyi Zhang, Peter Alex Greaney |
On-Site Speaker (Planned) |
Weiyi Zhang |
Abstract Scope |
Single-molecule electronics offer a promising solutions reducing the scale of electronic circuits and the size of electrical devices. In our previous work, we had been able to computationally design organic molecules, and by molecular dynamic simulation obtained a group of flexible molecules which can be mechanically isomerized. Here report By computing electrical conductivity of these flexible molecules at different strain, we seek organic molecules with electrical conductivity that can be switched or tuned by deformation. Such molecules would have potential application in sensing and as single-molecule piezoelectrical devices. |
Proceedings Inclusion? |
Planned: Supplemental Proceedings volume |