PEMFC nanoparticle catalyst dealloying from kinetic Monte Carlo simulations

B. Puchala, S. K. Lin, L. Wang, D. Morgan

Research output: Chapter in Book/Report/Conference proceedingConference contribution

3 Citations (Scopus)

Abstract

We present a kinetic Monte Carlo (KMC) simulation method to study the dealloying behavior of Pt1-xCox nanoparticles. The method uses the modified embeded atom method (MEAM) to model the thermodynamics of the Pt1-xCox alloy, along with kinetic parameters fit to ab initio calculations and experimental data. We have validated the method by using ramped potential simulations. Ramped potential simulations show that dissolution occurs at the potential value expected from measured dissolution potentials.

Original languageEnglish
Title of host publicationPolymer Electrolyte Fuel Cells 12, PEFC 2012
Pages1643-1649
Number of pages7
Edition2
DOIs
Publication statusPublished - 2012
Event12th Polymer Electrolyte Fuel Cell Symposium, PEFC 2012 - 222nd ECS Meeting - Honolulu, HI, United States
Duration: 2012 Oct 72012 Oct 12

Publication series

NameECS Transactions
Number2
Volume50
ISSN (Print)1938-5862
ISSN (Electronic)1938-6737

Other

Other12th Polymer Electrolyte Fuel Cell Symposium, PEFC 2012 - 222nd ECS Meeting
Country/TerritoryUnited States
CityHonolulu, HI
Period12-10-0712-10-12

All Science Journal Classification (ASJC) codes

  • Engineering(all)

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