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Published in 2017 at "Chemistry of Materials"
DOI: 10.1021/acs.chemmater.7b01487
Abstract: We probe and rationalize the complex surface chemistry of wurtzite ZnO by employing interatomic potential calculations coupled with a Monte Carlo procedure that sampled over 0.5 million local minima. We analyze the structure and stability…
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Keywords:
polar surfaces;
zno stable;
surface;
chemistry ... See more keywords