New publication in J. Physical Chemistry C on oxygen vacancies in perovskites

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"Effects of Concentration, Crystal Structure, Magnetism, and Electronic Structure Method on First-Principles Oxygen Vacancy Formation Energy Trends in Perovskites" J. Phys. Chem. C, Article ASAP DOI: 10.1021/jp507957n

Check out the amazing supporting information file: http://pubs.acs.org/doi/suppl/10.1021/jp507957n It has embedded data files and code in it for reproducing the results in the manuscript.

Congratulations Matt!

@article{curnan-2014-effec-concen,
  author =       {Curnan, Matthew T. and Kitchin, John R.},
  title =        {Effects of Concentration, Crystal Structure,
                  Magnetism, and Electronic Structure Method on
                  First-Principles Oxygen Vacancy Formation Energy
                  Trends in Perovskites},
  journal =      {The Journal of Physical Chemistry C},
  volume =       0,
  number =       0,
  pages =        {null},
  year =         2014,
  doi =          {10.1021/jp507957n},
  url =          { http://dx.doi.org/10.1021/jp507957n },
  eprint =       { http://dx.doi.org/10.1021/jp507957n },
}

Copyright (C) 2014 by John Kitchin. See the License for information about copying.

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