New publication on effects of Linear Response U on OER trends

Posted February 09, 2015 at 07:18 PM | categories: news | tags:

Updated March 03, 2015 at 07:27 PM

In this paper we explore the role DFT+U on oxygen evolution reactivity trends, and the role that linear response U can play in predicting these properties. Congratulations Zhongnan! 

@article{xu-2015-linear-respon,
  author = {Xu, Zhongnan and Rossmeisl, Jan and Kitchin, John R.},
  title = {A Linear Response {DFT}+{U} Study of Trends in the Oxygen
                  Evolution Activity of Transition Metal Rutile Dioxides},
  journal = {The Journal of Physical Chemistry C},
  volume = 0,
  number = 0,
  pages = {null},
  year = 2015,
  doi = {10.1021/jp511426q},
  url = { https://doi.org/10.1021/jp511426q },
  eprint = { https://doi.org/10.1021/jp511426q },
}

http://pubs.acs.org/doi/abs/10.1021/jp511426q

Copyright (C) 2015 by John Kitchin. See the License for information about copying.

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