New publication in ACS Catalysis on alloy reactivity across composition space

Posted December 24, 2014 at 01:15 PM | categories: news, publication | tags:

Updated December 24, 2014 at 01:18 PM

In this new paper we present a method to estimate the reactivity of an alloy surface with a distribution of active sites across composition space. We use hydrogen-deuterium exchange as the probe reaction, and compare our results to experiments from the Gellman group. Congratulations Jake! 

@article{boes-2014-estim-bulk,
  author =       {Jacob R. Boes and Gamze Gumuslu and James B. Miller
                  and Andrew J. Gellman and John R. Kitchin},
  title =        {Estimating Bulk Composition Dependent H$_2$
                  Adsorption Energies on Cu$_x$Pd$_{1-x}$ Alloy (111)
                  Surfaces},
  journal =      {ACS Catalysis},
  volume =       0,
  number =       {ja},
  pages =        {null},
  year =         2014,
  doi =          {10.1021/cs501585k},
  url =          { https://doi.org/10.1021/cs501585k },
  eprint =       { https://doi.org/10.1021/cs501585k },
}

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

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