Non-innocent dissociation of H 2O on GaP(110): Implications for electrochemical reduction of CO 2

Ana B. Muñoz-García, Emily A. Carter

Research output: Contribution to journalArticlepeer-review

43 Scopus citations


The structural and electronic properties of the GaP(110)/H 2O interface have been investigated by first-principles density functional theory calculations. Our results suggest that hydride-like H atoms are present on the surface as a consequence of the dissociation of water in contact with the GaP surface. This feature opens up a new feasible reduction pathway for CO 2 where the GaP(110) surface is the electrochemically active entity.

Original languageEnglish (US)
Pages (from-to)13600-13603
Number of pages4
JournalJournal of the American Chemical Society
Issue number33
StatePublished - Aug 22 2012

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry


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