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A thermodynamics model for the emergence of a stripe-like binary SAM on a nanoparticle surface
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Ge, Xinwei, Ke, Pu Chun, Davis, Thomas P. and Ding, Feng (2015) A thermodynamics model for the emergence of a stripe-like binary SAM on a nanoparticle surface. Small, 11 (37). pp. 4894-4899. doi:10.1002/smll.201501049 ISSN 1613-6810.
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Official URL: http://dx.doi.org/10.1002/smll.201501049
Abstract
It has been under debate if a self-assembled monolayer (SAM) with two immiscible ligands of different chain lengths and/or bulkiness can form a stripe-like pattern on a nanoparticle (NP) surface. The entropic gain upon such pattern formation due to difference in chain lengths and/or bulkiness has been proposed as the driving force in literature. Using atomistic discrete molecular dynamics simulations it is shown that stripe-like pattern could indeed emerge, but only for a subset of binary SAM systems. In addition to entropic contributions, the formation of a striped pattern also strongly depends upon interligand interactions governed by the physicochemical properties of the ligand constituents. Due to the interplay between entropy and enthalpy, a binary SAM system can be categorized into three different types depending on whether and under what condition a striped pattern can emerge. The results help clarify the ongoing debate and our proposed principle can aid in the engineering of novel binary SAMs on a NP surface.
Item Type: | Journal Article | ||||||
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | ||||||
Journal or Publication Title: | Small | ||||||
Publisher: | Wiley - V C H Verlag GmbH & Co. KGaA | ||||||
ISSN: | 1613-6810 | ||||||
Official Date: | 7 October 2015 | ||||||
Dates: |
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Volume: | 11 | ||||||
Number: | 37 | ||||||
Page Range: | pp. 4894-4899 | ||||||
DOI: | 10.1002/smll.201501049 | ||||||
Status: | Peer Reviewed | ||||||
Publication Status: | Published | ||||||
Access rights to Published version: | Restricted or Subscription Access |
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