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Passivation of Nickel Fluoride

Nickel fluoride (NiF2) is of technological interest as it is the passivation product which forms on nickel metal in a fluorine environment. This research uses atomistic simulation techniques to model defects in the nickel fluoride perfect lattice. It is hoped that prediction of atomic behaviour in the perfect lattice will lead to a better understanding of the passivation layer.
There are are several aspects to this type of research.
Crystallography 
Atomistic Simulation
Defect Chemistry
Atomistic simulation of an ionic lattice can predict the behaviour of: 
Vacancy Defects 
Interstitial Defects 
Dopants 
Migration 


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