期刊
JOURNAL OF MATERIALS CHEMISTRY
卷 20, 期 46, 页码 10452-10458出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c0jm01580f
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Simulated crystallisation has been used to predict that Li2O nanoparticles comprise octahedral morphologies bounded by {111} and truncated by {100} with inverse fluorite crystal structure. We observe that by changing the temperature of the (simulated) crystallisation, changes in the microstructure can be realised, such a strategy facilitates the generation of full atomistic models with microstructural distributions similar to the structural diversity observed synthetically.
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