Global structural optimization and growth mechanism of cobalt oxide nanoclusters by genetic algorithm with spin-polarized DFT

Multi-convergence relaxation procedures within the genetic algorithm method refined by spin-polarized density functional theory were applied to search for the global and local minima of cobalt oxide nanoclusters ConOn(n�=�3−7). The study found new global minimum structures for the Co5O5and Co6O6...

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Bibliographic Details
Main Authors: Zayed, A.O.H., Daud, Mohammad Noh, Zain, Sharifuddin Md
Format: Article
Published: Elsevier 2017
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Online Access:http://eprints.um.edu.my/18829/
http://dx.doi.org/10.1016/j.jallcom.2016.11.153
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