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Title: Negative Surface Energies of Nickel Ferrite Nanoparticles under Hydrothermal Conditions

Abstract

The formation of nickel ferrite (NiFe 2 O 4 ) nanoparticles under hydrothermal conditions has been modeled using a method that combines results of first-principle calculations, elements of aqueous thermochemistry, and experimental free energies of formation. The calculations predict negative formation energies for the (111) surfaces and positive free energies for the formation of bulk nickel ferrite. Based on classical nucleation theory, the combination of the negative surface and positive bulk energies yields thermodynamically stable nickel ferrite nanoparticles with sizes between 30 and 150 nm in the temperature range of 300 to 400 K under alkaline conditions. The surface and bulk energetics as well as the stability of the nickel ferrite nanoparticle as a function of temperature and pH are discussed.

Authors:
ORCiD logo [1];  [1]
  1. Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC 27695, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1569511
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Published Article
Journal Name:
Journal of Nanomaterials
Additional Journal Information:
Journal Name: Journal of Nanomaterials Journal Volume: 2019; Journal ID: ISSN 1687-4110
Publisher:
Hindawi Publishing Corporation
Country of Publication:
Egypt
Language:
English

Citation Formats

Rák, Zs., and Brenner, D. W. Negative Surface Energies of Nickel Ferrite Nanoparticles under Hydrothermal Conditions. Egypt: N. p., 2019. Web. doi:10.1155/2019/5268415.
Rák, Zs., & Brenner, D. W. Negative Surface Energies of Nickel Ferrite Nanoparticles under Hydrothermal Conditions. Egypt. doi:10.1155/2019/5268415.
Rák, Zs., and Brenner, D. W. Mon . "Negative Surface Energies of Nickel Ferrite Nanoparticles under Hydrothermal Conditions". Egypt. doi:10.1155/2019/5268415.
@article{osti_1569511,
title = {Negative Surface Energies of Nickel Ferrite Nanoparticles under Hydrothermal Conditions},
author = {Rák, Zs. and Brenner, D. W.},
abstractNote = {The formation of nickel ferrite (NiFe 2 O 4 ) nanoparticles under hydrothermal conditions has been modeled using a method that combines results of first-principle calculations, elements of aqueous thermochemistry, and experimental free energies of formation. The calculations predict negative formation energies for the (111) surfaces and positive free energies for the formation of bulk nickel ferrite. Based on classical nucleation theory, the combination of the negative surface and positive bulk energies yields thermodynamically stable nickel ferrite nanoparticles with sizes between 30 and 150 nm in the temperature range of 300 to 400 K under alkaline conditions. The surface and bulk energetics as well as the stability of the nickel ferrite nanoparticle as a function of temperature and pH are discussed.},
doi = {10.1155/2019/5268415},
journal = {Journal of Nanomaterials},
number = ,
volume = 2019,
place = {Egypt},
year = {2019},
month = {10}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1155/2019/5268415

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