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Title: Lateral water structure connects metal oxide nanoparticle faces

Abstract

It is known that 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 (α-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];  [1];  [1];  [2]
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Energy Geosciences Div.
  2. Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division
OSTI Identifier:
1545144
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Materials Research
Additional Journal Information:
Journal Volume: 34; Journal Issue: 3; Journal ID: ISSN 0884-2914
Publisher:
Materials Research Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE

Citation Formats

Zarzycki, Piotr, Colla, Christopher A., 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, Colla, Christopher A., Gilbert, Benjamin, & Rosso, Kevin M. Lateral water structure connects metal oxide nanoparticle faces. United States. doi:10.1557/jmr.2018.478.
Zarzycki, Piotr, Colla, Christopher A., Gilbert, Benjamin, and Rosso, Kevin M. Wed . "Lateral water structure connects metal oxide nanoparticle faces". United States. doi:10.1557/jmr.2018.478. https://www.osti.gov/servlets/purl/1545144.
@article{osti_1545144,
title = {Lateral water structure connects metal oxide nanoparticle faces},
author = {Zarzycki, Piotr and Colla, Christopher A. and Gilbert, Benjamin and Rosso, Kevin M.},
abstractNote = {It is known that 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 (α-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 = {1}
}

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