Experimental and theoretical study of reactivity trends for methanol on Co/Pt(111) and Ni/Pt(111) bimetallic surfaces. Academic Article uri icon

abstract

  • Methanol was used as a probe molecule to examine the reforming activity of oxygenates on NiPt(111) and CoPt(111) bimetallic surfaces, utilizing density functional theory (DFT) modeling, temperature-programmed desorption, and high-resolution electron energy loss spectroscopy (HREELS). DFT results revealed a correlation between the methanol and methoxy binding energies and the surface d-band center of various NiPt(111) and CoPt(111) bimetallic surfaces. Consistent with DFT predictions, increased production of H2 and CO from methanol was observed on a Ni surface monolayer on Pt(111), designated as Ni-Pt-Pt(111), as compared to the subsurface monolayer Pt-Ni-Pt(111) surface. HREELS was used to verify the presence and subsequent decomposition of methoxy intermediates on NiPt(111) and CoPt(111) bimetallic surfaces. On Ni-Pt-Pt(111) the methoxy species decomposed to a formaldehyde intermediate below 300 K; this species reacted at approximately 300 K to form CO and H2. On Co-Pt-Pt(111), methoxy was stable up to approximately 350 K and decomposed to form CO and H2. Overall, trends in methanol reactivity on NiPt(111) bimetallic surfaces were similar to those previously determined for ethanol and ethylene glycol.

published proceedings

  • J Chem Phys

author list (cited authors)

  • Skoplyak, O., Menning, C. A., Barteau, M. A., & Chen, J. G.

citation count

  • 66

complete list of authors

  • Skoplyak, Orest||Menning, Carl A||Barteau, Mark A||Chen, Jingguang G

publication date

  • September 2007