Rotaxane for Molecular Electronics Applications
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Authors
Xiong, Xingguo
Wu, Peiqiao
Dharmadhikari, Bhushan V.
Patra, Prabir
Issue Date
2023-03-24
Type
Other
Language
en_US
Keywords
Rotaxane , Molecular simulations , Molecular Electronic Applications
Alternative Title
Abstract
Rotaxane is a promising molecule showing the potential to be used for future molecular electronics applications. In this work, we performed computational molecular simulations to investigate the switching mechanism of [2]rotaxane molecule from the perspective of molecular electronics application. The results show that the solvent environment plays an important role in the switching characteristics of [2]rotaxane molecule. The switching of [2]rotaxane is stable, controllable, reversible and repeatable. Our simulation results support that [2]rotaxane molecules possess the potential to be used for molecular electronics applications. Overall, this research aims to lay down the foundation for [2]rotaxane molecular switches to demonstrate its attractive potentials for future Romory (Rotaxane Memory) and Rogic (Rotaxane Logic) applications.
Description
UB RISE 2023,
Department of Computer Science and Engineering, University of Bridgeport.
Department of Biomedical and Mechanical Engineering, University of Bridgeport.
Department of Electrical and Computer Engineering, University of Bridgeport.
Department of Electrical and Computer Engineering and Technology, Minnesota State University.