4.6 Article

Surface Chemistry Affects the Efficacy of the Hydration Force between Two ZnO(10(1)over-bar0) Surfaces

Journal

JOURNAL OF PHYSICAL CHEMISTRY C
Volume 122, Issue 23, Pages 12259-12266

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.8b02421

Keywords

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Funding

  1. MS3 (Materials Synthesis and Simulation Across Scales) Initiative at Pacific Northwest National Laboratory (PNNL), a multiprogram national laboratory
  2. U.S. Department of Energy [DE-AC05-76RL01830]
  3. U.S. Department of Energy (DOE) office of Basic Energy Sciences (BES), Division of Chemical Sciences, Geosciences, and Biosciences
  4. U.S. DOE BES, Division of Materials Sciences and Engineering
  5. Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]

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The hydration force is an important component of the energy landscape for particle-particle aggregation. Here, we use molecular simulation to investigate the length scale and the oscillatory nature of the hydration force that manifests between two hydrophilic surfaces that undergo hydroxylation in water. We identify how this force is modified due to the details of chemistry at the interface of ZnO(10 (1) over bar0) in aqueous solution. Importantly, our research demonstrates that the size-dependent nature of oriented attachment does not originate from the hydration force. Rather, we find that the hydration force has qualitatively different outcomes based on the details of the surface chemistry, occurring at structurally specific aqueous solid-liquid interfaces.

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