Effect of cation intercalation on the growth of hexagonal WO 3 nanorods

Li Chen, Sai Wei Lam, Qinghua Zeng, Rose Amal, Aibing Yu

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The growth mechanism of hexagonal tungsten oxide (h-WO 3) nanorods is investigated using molecular dynamics simulation. The results show that cation intercalation has a great impact on the formation of h-WO 3 nanorods, reflected from the attractive interaction between the growth species (polytungstate anion, W 10O 32 4-) and crystal faces of (001) and (100). In particular, an appropriate amount of intercalated cations not only accelerate the crystal growth but also induce the formation of one-dimensional nanostructure of h-WO 3 nanorods along the direction of [001]. An excess of intercalated cations would be unfavorable to the evolution of rod shape. Ammonium ion (NH 4 +) is found to be the most stable in a hexagonal tunnel, hence being effective in inducing the 1D morphology of h-WO 3. The main findings from the simulations are also verified by experiments.
Original languageEnglish
Pages (from-to)11722 - 11727
Number of pages6
JournalPowder Technology
Issue number21
Publication statusPublished - 2012
Externally publishedYes

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