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Title: Lateral Water Structure Connects Metal Oxide Nanoparticle Faces

Abstract

When a metal oxide surface is immersed in aqueous solution, it has the ability to bind, orient, and order interfacial water, affecting both chemical and physical interactions with the surface. Structured interfacial water thus possesses time-averaged, spatially varying polarization charge and potential that are comparable to those arising due to ion accumulation. It is well established that interfacial water structure propagates from the surface into bulk solution. Here, we show that interfacial water structure also propagates laterally, with important consequences. The constant pH molecular dynamics was used to impose a pH difference between opposite faces of a model goethite (a-FeOOH) nanoparticle and quantify water polarization charge on intervening faces. We find that the structure of water on one face is strongly affected by the structure on nearby surfaces, revealing the importance of long-range lateral hydrogen bonding networks with implications for particle aggregation, oriented attachment, and processes such as dissolution and growth.

Authors:
ORCiD logo [1];  [2];  [2];  [3]
  1. VISITORS
  2. Lawrence Berkeley National Laboratory
  3. Pacific Northwest National Laboratory
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1578058
Report Number(s):
PNNL-SA-147753
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Journal Article
Journal Name:
Journal of Materials Research
Additional Journal Information:
Journal Volume: 34; Journal Issue: 3
Country of Publication:
United States
Language:
English

Citation Formats

Zarzycki, Piotr P., Colla, Christopher, Gilbert, Benjamin, and Rosso, Kevin M. Lateral Water Structure Connects Metal Oxide Nanoparticle Faces. United States: N. p., 2019. Web. doi:10.1557/jmr.2018.478.
Zarzycki, Piotr P., Colla, Christopher, Gilbert, Benjamin, & Rosso, Kevin M. Lateral Water Structure Connects Metal Oxide Nanoparticle Faces. United States. doi:10.1557/jmr.2018.478.
Zarzycki, Piotr P., Colla, Christopher, Gilbert, Benjamin, and Rosso, Kevin M. Thu . "Lateral Water Structure Connects Metal Oxide Nanoparticle Faces". United States. doi:10.1557/jmr.2018.478.
@article{osti_1578058,
title = {Lateral Water Structure Connects Metal Oxide Nanoparticle Faces},
author = {Zarzycki, Piotr P. and Colla, Christopher and Gilbert, Benjamin and Rosso, Kevin M.},
abstractNote = {When a metal oxide surface is immersed in aqueous solution, it has the ability to bind, orient, and order interfacial water, affecting both chemical and physical interactions with the surface. Structured interfacial water thus possesses time-averaged, spatially varying polarization charge and potential that are comparable to those arising due to ion accumulation. It is well established that interfacial water structure propagates from the surface into bulk solution. Here, we show that interfacial water structure also propagates laterally, with important consequences. The constant pH molecular dynamics was used to impose a pH difference between opposite faces of a model goethite (a-FeOOH) nanoparticle and quantify water polarization charge on intervening faces. We find that the structure of water on one face is strongly affected by the structure on nearby surfaces, revealing the importance of long-range lateral hydrogen bonding networks with implications for particle aggregation, oriented attachment, and processes such as dissolution and growth.},
doi = {10.1557/jmr.2018.478},
journal = {Journal of Materials Research},
number = 3,
volume = 34,
place = {United States},
year = {2019},
month = {2}
}

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