Electrode: an electrochemistry package for atomistic simulations

HIGHLIGHTS

  • who: Ludwig J. V. Ahrens-Iwers and colleagues from the Institute of Advanced Ceramics, Hamburg University of Technology, Hamburg, Germany have published the paper: ELECTRODE: An electrochemistry package for atomistic simulations, in the Journal: (JOURNAL)
  • what: The authors demonstrate the capabilities of this implementation for a parallel-plate electrical double-layer capacitor for which the authors have investigated the charging times with the different implemented methods and found an interesting relationship between water and ionic dipole relaxations. The aim of ELECTRODE is to compute the electrode-electrolyte interaction in b efficiently and to update the . . .

     

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