Predicting the structure of screw dislocations in nanoporous materials

Andrew M. Walker, Ben Slater, Julian D. Gale, Kate Wright

Research output: Contribution to journalArticle

46 Citations (Scopus)

Abstract

The atomic structure of a screw dislocation in zeolite A was examined using a simulation technique. It was observed that the predicted channel structure exhibited a spiral form resembling a nanoscale corkscrew. It was expected that dislocation will enhance the transport of molecules from the surface to the interior of the crystal while retarding transport parallel to the surface. The examination of the shape of dislocation core and the helical structure reflected a local chirality. It was also expected that screw dislocations in many other zeolitic materials will be imbued with distinct reactive and transport properties that may influence the behavior of technologically important materials.

Original languageEnglish
Pages (from-to)715-720
Number of pages6
JournalNature Materials
Volume3
Issue number10
DOIs
Publication statusPublished - 1 Jan 2004
Externally publishedYes

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