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Importance of Solvation for the Accurate Prediction of Oxygen Reduction Activities of Pt-Based Electrocatalysts.

Zheng-Da HeSelwyn HanselmanYan-Xia ChenMarc T M KoperFederico Calle-Vallejo
Published in: The journal of physical chemistry letters (2019)
Keyphrases
  • molecular dynamics simulations
  • molecular dynamics
  • ionic liquid
  • high resolution