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Title: Ionic liquids-mediated interactions between nanorods

Abstract

Surface forces mediated by room-temperature ionic liquids (RTILs) play an essential role in diverse applications including self-assembly, lubrication, and electrochemical energy storage. In this work, using molecular simulations we study the interactions between two nanorods immersed in model RTILs at rod-rod separations where both structural and double layer forces are important. The interaction force between neutral rods oscillates as the two rods approach each other, similar to the classical structural forces. Such oscillatory force originates from the density oscillation of RTILs near each rod and is affected by the packing constraints imposed by the neighboring rods. The oscillation period and decay length of the oscillatory force are mainly dictated by the ion density distribution near isolated nanorods. When charges are introduced on the rods, the interaction force remains short-range and oscillatory, similar to the interactions between planar walls mediated by some protic RTILs reported earlier. Nevertheless, introducing net charges to the rods greatly changes the rod-rod interactions, e.g., by delaying the appearance of the first force trough and increasing the oscillation period and decay length of the interaction force. The oscillation period and decay length of the oscillatory force and free energy are commensurate with those of the space chargemore » density near an isolated, charged rod. The free energy of rod-rod interactions reaches local minima (maxima) at rod-rod separations when the space charges near the two rods interfere constructively (destructively). Here, the insight on the short-range interactions between nanorods in RTILs helps guide the design of novel materials, e.g., crystalline ion gels based on rigid-rod polyanions and RTILs.« less

Authors:
 [1];  [1]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [1]
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  1. Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1407778
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 147; Journal Issue: 13; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE

Citation Formats

Yu, Zhou, Zhang, Fei, Huang, Jingsong, Sumpter, Bobby G., and Qiao, Rui. Ionic liquids-mediated interactions between nanorods. United States: N. p., 2017. Web. doi:10.1063/1.5005541.
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Yu, Zhou, Zhang, Fei, Huang, Jingsong, Sumpter, Bobby G., & Qiao, Rui. Ionic liquids-mediated interactions between nanorods. United States. https://doi.org/10.1063/1.5005541
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Yu, Zhou, Zhang, Fei, Huang, Jingsong, Sumpter, Bobby G., and Qiao, Rui. Fri . "Ionic liquids-mediated interactions between nanorods". United States. https://doi.org/10.1063/1.5005541. https://www.osti.gov/servlets/purl/1407778.
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@article{osti_1407778,
title = {Ionic liquids-mediated interactions between nanorods},
author = {Yu, Zhou and Zhang, Fei and Huang, Jingsong and Sumpter, Bobby G. and Qiao, Rui},
abstractNote = {Surface forces mediated by room-temperature ionic liquids (RTILs) play an essential role in diverse applications including self-assembly, lubrication, and electrochemical energy storage. In this work, using molecular simulations we study the interactions between two nanorods immersed in model RTILs at rod-rod separations where both structural and double layer forces are important. The interaction force between neutral rods oscillates as the two rods approach each other, similar to the classical structural forces. Such oscillatory force originates from the density oscillation of RTILs near each rod and is affected by the packing constraints imposed by the neighboring rods. The oscillation period and decay length of the oscillatory force are mainly dictated by the ion density distribution near isolated nanorods. When charges are introduced on the rods, the interaction force remains short-range and oscillatory, similar to the interactions between planar walls mediated by some protic RTILs reported earlier. Nevertheless, introducing net charges to the rods greatly changes the rod-rod interactions, e.g., by delaying the appearance of the first force trough and increasing the oscillation period and decay length of the interaction force. The oscillation period and decay length of the oscillatory force and free energy are commensurate with those of the space charge density near an isolated, charged rod. The free energy of rod-rod interactions reaches local minima (maxima) at rod-rod separations when the space charges near the two rods interfere constructively (destructively). Here, the insight on the short-range interactions between nanorods in RTILs helps guide the design of novel materials, e.g., crystalline ion gels based on rigid-rod polyanions and RTILs.},
doi = {10.1063/1.5005541},
journal = {Journal of Chemical Physics},
number = 13,
volume = 147,
place = {United States},
year = {Fri Oct 06 00:00:00 EDT 2017},
month = {Fri Oct 06 00:00:00 EDT 2017}
}
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