New publication - Cyclic Steady-State Simulation and Waveform Design for Dynamic Programmable Catalysis

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You can get higher rates of reaction on a catalyst by dynamically changing the adsorbate and reaction energetics. It has been an open challenge though to find ways to obtain the optimal waveform. In this work we present a problem formulation that is easy to solve and optimize waveforms in programmable catalysis.

  author =       {Carolina Colombo Tedesco and John R. Kitchin and Carl D.
  title =        {Cyclic Steady-State Simulation and Waveform Design for
                  Dynamic/programmable Catalysis},
  journal =      {The Journal of Physical Chemistry C},
  volume =       {nil},
  number =       {nil},
  pages =        {nil},
  year =         2024,
  doi =          {10.1021/acs.jpcc.4c01543},
  url =          {},
  DATE_ADDED =   {Thu May 23 16:35:52 2024},

Copyright (C) 2024 by John Kitchin. See the License for information about copying.

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