Abstract
Using Monte Carlo simulations, we study lateral electronic diffusion in dense monolayers composed of a mixture of redox-active and redox-passive chains tethered to a surface. Two charge transport mechanisms are considered: the physical diffusion of electroactive chains and electron hopping between redox-active sites. Results indicate that by varying the monolayer density, the mole fraction of electroactive chains, and the electron hopping range, the dominant charge transport mechanism can be changed. For high density monolayers in a semi-crystalline phase, electron diffusion proceeds via electron hopping almost exclusively, leading to static percolation behavior. In fluid monolayers, the diffusion of chains may contribute more to the overall electronic diffusion, reducing the observed static percolation effects.
Original language | English (US) |
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Pages (from-to) | 503-507 |
Number of pages | 5 |
Journal | Chemical Physics |
Volume | 375 |
Issue number | 2-3 |
DOIs | |
State | Published - Oct 5 2010 |
Funding
C.B.G. is supported by a Graduate Research Fellowship from the NSF. This work was supported by the Non-equilibrium Energy Research Center (NERC) which is an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under Award No. DE-SC0000989.
Keywords
- Electron transfer
- Melting transition
- Redox-active monolayer
- Static percolation
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry