Organic molecule-functionalized Zn3P2 nanowires for photochemical H2 production: DFT and experimental analyses

G. Ramos-Sanchez, M. Albornoz, Y. H. Yu, Z. Cheng, V. Vasiraju, S. Vaddiraju, Fadwa El-Mellouhi, P. B. Balbuena

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Hydrogen production via photochemical reactions in water/methanol solutions containing Zn3P2 nanowires functionalized with an organic molecular layer is shown to be between 217 and 405 times higher than that obtained in absence of the molecular layer. Combined surface characterization and theoretical analyses are used to elucidate aspects of the photochemical reaction process. It is found that the protective layer exerts a passivation role decreasing the rate of nanowire degradation, while facilitating electron transfer for the hydrogen evolution reaction.

Original languageEnglish
Pages (from-to)19887-19898
Number of pages12
JournalInternational Journal of Hydrogen Energy
Volume39
Issue number35
DOIs
Publication statusPublished - 3 Dec 2014

Fingerprint

Photochemical reactions
Discrete Fourier transforms
Nanowires
nanowires
photochemical reactions
Molecules
Hydrogen production
Passivation
molecules
Methanol
hydrogen production
Degradation
Hydrogen
passivity
Electrons
electron transfer
methyl alcohol
degradation
Water
hydrogen

Keywords

  • Density functional theory
  • Electron transfer
  • Functionalized nanowires
  • Hydrogen production
  • Photochemical reactions
  • Zinc sulfide

ASJC Scopus subject areas

  • Renewable Energy, Sustainability and the Environment
  • Fuel Technology
  • Condensed Matter Physics
  • Energy Engineering and Power Technology

Cite this

Ramos-Sanchez, G., Albornoz, M., Yu, Y. H., Cheng, Z., Vasiraju, V., Vaddiraju, S., ... Balbuena, P. B. (2014). Organic molecule-functionalized Zn3P2 nanowires for photochemical H2 production: DFT and experimental analyses. International Journal of Hydrogen Energy, 39(35), 19887-19898. https://doi.org/10.1016/j.ijhydene.2014.10.028

Organic molecule-functionalized Zn3P2 nanowires for photochemical H2 production : DFT and experimental analyses. / Ramos-Sanchez, G.; Albornoz, M.; Yu, Y. H.; Cheng, Z.; Vasiraju, V.; Vaddiraju, S.; El-Mellouhi, Fadwa; Balbuena, P. B.

In: International Journal of Hydrogen Energy, Vol. 39, No. 35, 03.12.2014, p. 19887-19898.

Research output: Contribution to journalArticle

Ramos-Sanchez, G. ; Albornoz, M. ; Yu, Y. H. ; Cheng, Z. ; Vasiraju, V. ; Vaddiraju, S. ; El-Mellouhi, Fadwa ; Balbuena, P. B. / Organic molecule-functionalized Zn3P2 nanowires for photochemical H2 production : DFT and experimental analyses. In: International Journal of Hydrogen Energy. 2014 ; Vol. 39, No. 35. pp. 19887-19898.
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