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Study of proton adsorption at heterogeneous oxide/electrolyte interface. Prediction of the surface potential using Monte Carlo simulations and 1-pK approach.

Piotr ZarzyckiRobert CharmasPawel Szabelski
Published in: J. Comput. Chem. (2004)
Keyphrases
  • monte carlo simulation
  • markov chain
  • monte carlo
  • prediction accuracy
  • fuel cell
  • search algorithm
  • prediction error
  • three dimensional