Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/7526
Title: First-principles study of dissociation processes for the synthesis of Fe and Co oxide nanoparticles
Authors: Özdamar, Burak
Bouzid, Assil
Ori, Guido
Massobrio, Carlo
Boero, Mauro
Keywords: Nanoparticles
Metal oxide
Iron
Free energy
Issue Date: Jan-2018
Publisher: American Chemical Society
Source: Özdamar, B., Bouzid, A., Ori, G., Massobrio, C., and Boero, M. (2018). First-principles study of dissociation processes for the synthesis of Fe and Co oxide nanoparticles. Journal of Chemical Theory and Computation, 14(1), 225-235. doi:10.1021/acs.jctc.7b00869
Abstract: Thermal decomposition is a practical and reliable tool to synthesize nanoparticles with monodisperse size distribution and reproducible accuracy. The nature of the precursor molecules and their interaction with the environment during the synthesis process have a direct impact on the resulting nanoparticles. Our study focuses on widely used transition-metal (Co, Fe) stearates precursors and their thermal decomposition reaction pathway. We show how the nature of the metal and the presence or absence of water molecules, directly related to the humidity conditions during the synthesis process, affect the decomposition mechanism and the resulting transition-metal oxide building blocks. This, in turn, has a direct effect on the physical and chemical properties of the produced nanoparticles and deeply influences their composition and morphology.
URI: https://doi.org/10.1021/acs.jctc.7b00869
https://hdl.handle.net/11147/7526
ISSN: 1549-9618
1549-9618
Appears in Collections:Materials Science and Engineering / Malzeme Bilimi ve Mühendisliği
PubMed İndeksli Yayınlar Koleksiyonu / PubMed Indexed Publications Collection
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
Sürdürülebilir Yeşil Kampüs Koleksiyonu / Sustainable Green Campus Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

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