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Tunability of the CO adsorption energy on a Ni/Cu surface: Site change and coverage effects

Vesselli, E., Rizzi, M., Furlan, S., Duan, X., Monachino, E., Dri, C., Peronio, A., Africh, C., Lacovig, P., Baldereschi, A., Comelli, G. & Peressi, M., 14-Jun-2017, In : Journal of Chemical Physics. 146, 22, 8 p., 224707.

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  • Tunability of the CO adsorption energy on a Ni/Cu surface

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DOI

  • Erik Vesselli
  • Michele Rizzi
  • Sara Furlan
  • Xiangmei Duan
  • Enrico Monachino
  • Carlo Dri
  • Angelo Peronio
  • Cristina Africh
  • Paolo Lacovig
  • Alfonso Baldereschi
  • Giovanni Comelli
  • Maria Peressi

The adsorption energy of carbon monoxide on Ni ad-islands and ultra-thin films grown on the Cu(110) surface can be finely tuned via a complex interplay among diffusion, site change mechanisms, and coverage effects. The observed features of CO desorption can be explained in terms of migration of CO molecules from Cu to Ni islands, competition between bridge and on-top adsorption sites, and repulsive lateral adsorbate-adsorbate interactions. While the CO adsorption energy on clean Cu(110) is of the order of 0.5 eV, Ni-alloying allows for its controlled, continuous tunability in the 0.98-1.15 eV range with Ni coverage. Since CO is a fundamental reactant and intermediate in many heterogeneous catalytic (electro)-conversion reactions, insight into these aspects with atomic level detail provides useful information to potentially drive applicative developments. The tunability range of the CO adsorption energy that we measure is compatible with the already observed tuning of conversion rates by Ni doping of Cu single crystal catalysts for methanol synthesis from a CO2, CO, and H-2 stream under ambient pressure conditions. Published by AIP Publishing.

Original languageEnglish
Article number224707
Number of pages8
JournalJournal of Chemical Physics
Volume146
Issue number22
Publication statusPublished - 14-Jun-2017
Externally publishedYes

    Keywords

  • WATER-GAS SHIFT, METHANOL SYNTHESIS, CARBON-DIOXIDE, MOLECULAR-BEAM, NI, HYDROGENATION, REACTIVITY, CATALYSTS, H-2, CONVERSION

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