Molecular dynamics simulations elucidate the structure of silver iodide nanoaggregates encapsulated in carbon nanotubes (CNTs). The simulations evidence the formation of novel AgI structures and the crucial role of the nanotube diameter in ruling the morphology of the confined nanocrystallites. The figure shows the structure of a silver iodide cluster encapsulated in a (10,10) CNT.
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Baldoni et al. (2007) studied this question.
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