Abstract
The growth mechanism of hexagonal tungsten oxide (h-WO₃) nanorods is investigated using molecular dynamics simulation. The results show that cation intercalation has a great impact on the formation of h-WO₃nanorods, reflected from the attractive interaction between the growth species (polytungstate anion, W10O32⁴¯) 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-WO₃ nanorods along the direction of [001]. An excess of intercalated cations would be unfavorable to the evolution of rod shape. Ammonium ion (NH₄⁺) is found to be the most stable in a hexagonal tunnel, hence being effective in inducing the 1D morphology of h-WO₃. The main findings from the simulations are also verified by experiments.
Original language | English |
---|---|
Pages (from-to) | 11722-11727 |
Number of pages | 6 |
Journal | Journal of Physical Chemistry C |
Volume | 116 |
Issue number | 21 |
DOIs | |
Publication status | Published - 2012 |
Keywords
- ammonium ions
- cation intercalation
- crystal face
- growth mechanisms
- hexagonal tungsten oxide
- hexagonal tunnels
- molecular mechanics
- nanorods
- nanostructure
- positive ions
- tungsten compounds