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:
-
[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}
}
DOI: 10.1155/2019/5268415
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