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Negative Differential Resistance of Oligo (Phenylene Ethynylene) Self-Assembled Monolayer Systems: The Electric Field Induced Conformational Change Mechanism.
- Source :
- Multiscale & Multiphysics Computational Frameworks for Nano- & Bio-systems; 2011, p9-26, 18p
- Publication Year :
- 2011
-
Abstract
- We investigate here a possible mechanism for the room temperature Negative Differential Resistance (NDR) in the Au/AN-OPE/RS/Hg self-assembled monolayer (SAM) system, where AN-OPE = 2΄-amino, 5΄-nitro oligo (phenylene ethynylene) and RS is a C14 alkyl thiolate. Kiehl and co-workers showed that this molecular system leads to NDR with hysteresis and sweep-rate-dependent position and amplitude in the NDR peak. To investigate a molecular basis for this interesting behavior, we combine first principles quantum mechanics (QM) and meso-scale lattice Monte Carlo (MC) methods to simulate the switching as a function of voltage and voltage rate, leading to results consistent with experimental observations. This simulation shows how the structural changes at the microscopic level lead to the NDR and sweep-rate dependent macroscopic I-V curve observed experimentally, suggesting a microscopic model that might aid in designing improved NDR systems. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISBNs :
- 9781441976000
- Database :
- Complementary Index
- Journal :
- Multiscale & Multiphysics Computational Frameworks for Nano- & Bio-systems
- Publication Type :
- Book
- Accession number :
- 76756258
- Full Text :
- https://doi.org/10.1007/978-1-4419-7601-7_2