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• W2031592702 abstract "Density functional calculations using model clusters were performed to clarify the atomic-scale diffusion mechanism of an O2 molecule or an O atom in SiO2. The activation energy required for the atomic O diffusion was estimated to be 1.3 eV, whereas that for the molecular O2 diffusion was revealed to be fairly low, 0.3 eV. This strongly suggests that the diffusing oxygen in SiO2 is primarily in a molecular form. The computational results were confirmed to be consistent between two SiO2 configurations of the cristobalite and quartz structures. Diffusion pathways and the related activation energies are shown to be well compatible with many recent works." @default.
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• W2031592702 date "2003-06-15" @default.
• W2031592702 modified "2023-10-16" @default.
• W2031592702 title "Diffusion of Molecular and Atomic Oxygen in Silicon Oxide" @default.
• W2031592702 cites W2003974290 @default.
• W2031592702 doi "https://doi.org/10.1143/jjap.42.3560" @default.
• W2031592702 hasPublicationYear "2003" @default.
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