Transport in proton conductors for fuel-cell applications: simulations, elementary reactions, and phenomenology.

By K. Kreuer, S. Paddison, E. Spohr, M. Schuster. Chemical Reviews, 2004

1,953 citations recorded by the source corpus.

1. Introduction 46372. Theoretical Methodologies and Simulation Tools 46402.1. Ab Initio Quantum Chemistry 46412.2. Molecular Dynamics 46422.2.1. Classical Molecular Dynamics and MonteCarlo Simulations46432.2.2. Empirical Valence Bond Models 46442.2.3. Ab Initio Molecular Dynamics (AIMD) 46452.3. Poisson−Boltzmann Theory 46452.4. Nonequilibrium Statistical Mechanical IonTransport Modeling46462.5. Dielectric Saturation 46473. Transport Mechanisms 46483.1. Proton Conduction Mechanisms 46483.1.1. Homogeneous Media 46483.1.2. Heterogeneous Systems (ConfinementEffects)46553.2. Mechanisms of Parasitic Transport 46613.2.1. Solvated Acidic Polymers 46613.2.2. Oxides 46654. Phenomenology of Transport inProton-Conducting Materials for Fuel-CellApplications46664.1. Hydrated Acidic Polymers 46664.2. PBI−H

Subfields: Electrical and Electronic Engineering, Industrial and Manufacturing Engineering, Materials Chemistry

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In Electrical and Electronic Engineering

  1. Qiang Chen
  2. K. Schmidt-Rohr
  3. J. Maier
  4. Soosan Rowshanzamir
  5. Ned Djilali
  6. S. J. Peighambardoust
  7. Mehdi Amjadi
  8. P. Okonkwo

In Materials Chemistry

  1. Qiang Chen
  2. K. Schmidt-Rohr
  3. J. Maier
  4. Soosan Rowshanzamir
  5. Ned Djilali
  6. S. J. Peighambardoust
  7. Mehdi Amjadi
  8. P. Okonkwo

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