Negative Differential Resistance of Oligo(Phenylene Ethynylene) Self-Assembled Monolayer Systems: The Electric-Field-Induced Conformational Change Mechanism
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 C_(14) 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 mesoscale lattice Monte Carlo 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.
Additional Information
© 2011 American Chemical Society. Received: December 02, 2010. Revised: January 04, 2011. Publication Date (Web): February 16, 2011. The computational work was initiated with support by the National Science Foundation (NIRT, W.A.G.). The collaboration was supported by the Microelectronics Advanced Research Corporation (MARCO, W.A.G. and R.A.K.) and its Focus Centers on Functional Engineered NanoArchitectonics (FENA). The facilities of the MSC (W.A.G.) were supported by ONRDURIP, ARO-DURIP, and the facilities of the CNBT lab (S.S.J.) were supported by the startup from the MSE in Georgia Tech. H.K. and W.A.G. acknowledge support from the WCU (World Class University) program through the National Research Foundation of Korea funded by the Ministry of Education, Science and Technology (R31-2008-000-10055-0).Attached Files
Supplemental Material - jp1114916_si_001.pdf
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Additional details
- Eprint ID
- 23061
- DOI
- 10.1021/jp1114916
- Resolver ID
- CaltechAUTHORS:20110323-080918257
- NSF
- Microelectronics Advanced Research Consortium (MARCO)
- Office of Naval Research (ONR)
- Army Research Office (ARO)
- Georgia Tech
- R31-2008-000-10055-0
- Ministry of Education, Science and Technology (Korea)
- Created
-
2011-03-29Created from EPrint's datestamp field
- Updated
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2021-11-09Created from EPrint's last_modified field