Sayle, T.X.T.Ngoepe, P.E.Sayle, D.C.2012-08-302012-08-302010-12-310959-9428http://dx.doi.org/10.1039/c0jm01580fhttp://dspace.lib.cranfield.ac.uk/handle/1826/7532Simulated 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.Article