Lateral water structure connects metal oxide nanoparticle faces

Zarzycki, Piotr; Colla, Christopher A.; Gilbert, Benjamin; Rosso, Kevin M.

doi:10.1557/jmr.2018.478

Title: Lateral water structure connects metal oxide nanoparticle faces

Journal Article · 23 January 2019 · Journal of Materials Research

DOI: https://doi.org/10.1557/jmr.2018.478 · OSTI ID:1545144

^[1]; Colla, Christopher A. ^[1]; Gilbert, Benjamin ^[1]; Rosso, Kevin M. ^[2]

Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Energy Geosciences Div.
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

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.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1545144

Journal Information:: Journal of Materials Research, Journal Name: Journal of Materials Research Journal Issue: 3 Vol. 34; ISSN 0884-2914

Publisher:: Materials Research SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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