A theoretical model investigation of the hydrogen-electrode processes of an acidic H2O2 fuel cell

L. Pataki, A. Mady, R. D. Venter, R. A. Poirier, M. R. Peterson, I. G. Csizmadia

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

Ab initio molecular-orbital (MO) self-consistent-field (SCF) computations have been carried out within the restricted Hartree-Fock (RHF) formalism on the species involved in 12 possible reaction mechanisms associated with the anodic process: H2→2H+2e - of the hydrogen-oxygen acidic fuel cell. Such a model which represents the gas-phase reactions may be regarded as a primary standard for any future study in which the catalyst of the electrode may be included.

Original languageEnglish
Pages (from-to)198-205
Number of pages8
JournalChemical Physics Letters
Volume109
Issue number2
DOIs
Publication statusPublished - Aug 10 1984

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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