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- W1611066890 abstract "A preliminary study of the alumina nanoparticles were conducted using density functional theory based first principles approach. The clusters consist of 5 – 32 atoms, with a size up to 1.4 nm. Both stoichiometric and nonstoichiometric clusters were included in the investigation. The structural change and energetics of these clusters were investigated. The results showed a trend of increasing stability with increasing size for the clusters. Stoichiometric clusters are generally more stable than the under‐oxidized counterparts. Electronic structure analysis showed that these nanosized alumina particles have a narrower band gap than the bulk alumina material, and some particles are magnetic." @default.
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- W1611066890 date "2004-01-01" @default.
- W1611066890 modified "2023-09-25" @default.
- W1611066890 title "A First Principles Study of Alumina Nanoparticles" @default.
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- W1611066890 doi "https://doi.org/10.1063/1.1766755" @default.
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