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Effect of Surface Functionalization on the Magnetization of Fe(3)O(4) Nanoparticles by Hybrid Density Functional Theory Calculations
[Image: see text] Surface functionalization is found to prevent the reduction of saturation magnetization in magnetite nanoparticles, but the underlying mechanism is still to be clarified. Through a wide set of hybrid density functional theory (HSE06) calculations on Fe(3)O(4) nanocubes, we explore...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9575150/ https://www.ncbi.nlm.nih.gov/pubmed/36190176 http://dx.doi.org/10.1021/acs.jpclett.2c02186 |