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.