A formation mechanism of oxygen vacancies in a MnO2 monolayer: a DFT + U study†
Abstract
Recently we reported the oxygen vacancy induced structural variations of the monolayer of
* Corresponding authors
a
Centre for Computational Molecular Science, Australian Institute of Bioengineering and Nanotechnology, The University of Queensland, QLD 4072, Brisbane, Australia
E-mail:
s.smith@uq.edu.au, c.sun1@uq.edu.au
Fax: +617 3346 3992
Tel: +617 3346 3949
b Materials Engineering and Centre for Microscopy Microanalysis, The University of Queensland, QLD 4072, Australia
Recently we reported the oxygen vacancy induced structural variations of the monolayer of
C. Sun, Y. Wang, J. Zou and S. C. Smith, Phys. Chem. Chem. Phys., 2011, 13, 11325 DOI: 10.1039/C1CP20634F
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