Si/Al and metal loading effects on the templated synthesis of Ni nanowires in CAN and MOR zeolite frameworks

Abstract

Zeolites with 1D pore channels, such as cancrinite (CAN) and mordenite (MOR), have the potential to be used as templates in the synthesis of subnanometre metal nanowires. Previous studies show a strong correlation between the location of Al atoms in zeolites and the positioning of the metal atoms inside the zeolite framework. Thus, Metropolis Monte Carlo simulations were used here to study the behaviour of Ni atoms within the CAN- and MOR-type zeolites at different Si/Al ratios and Ni loadings. It was found for both zeolite frameworks that a lower Si/Al ratio favoured energetically the positioning of Ni atoms in the 1D pore channels and that higher loadings of Ni promote the formation of 1D Ni structures. These results suggest that it is possible to use zeolites with the CAN and MOR frameworks and low Si/Al ratio as effective templates for the synthesis of metal nanowires.

Keywords:

• Monte Carlo
• zeolites
• cancrinite
• mordenite
• nanowires

Acknowledgements

We are grateful to the Chemical Engineering Department of the University of Puerto Rico and the Alfred P. Sloan Foundation for their financial support.