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The interaction of water and hydrogen with nickel surfaces

Shan, J.

Citation

Shan, J. (2009, November 11). The interaction of water and hydrogen with nickel surfaces. Retrieved from https://hdl.handle.net/1887/14365

Version: Corrected Publisher’s Version License:

Licence agreement concerning inclusion of doctoral thesis in the Institutional Repository of the University of Leiden

Downloaded from: https://hdl.handle.net/1887/14365

Note: To cite this publication please use the final published version (if applicable).

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Behorende bij het proefschrift

The Interaction of Water and Hydrogen with Nickel Surfaces

1. Water can be used as a good titrant for the bare nickel surface area remaining after partial hydrogen adsorption. (this thesis)

2. Sha et al. stated that the resurfacing H from a NiHx layer releases only 0.6 eV energy. This statement disregards the possible occurrence of a phase transition during the decomposition of NiHx patches, and is therefore incorrect. (Sha X. et al, Chem. Phys. Lett. 2002, 357, 389-396 / this thesis)

3. The upward relaxation of certain patches of a thin nickel hydride layer on Ni(111) is hard to detect by or even invisible to LEED measurements. (this thesis)

4. The mechanism proposed by Maynard et al. for collision-induced absorption of adsorbed H atoms by impacting noble gas atoms also applies for “D on H”

collisions. (Maynard J. K. et al, Faraday Discuss. 1991, 91, 437-449 / this thesis) 5. Nakamura et al. stated that adsorbed water molecules decompose to yield OD

species on Ni(111) at temperatures higher than 165 K. This statement does not consider the influence of remaining water and is therefore misleading. (Nakamura M. et al, Chem. Phys. Lett. 2004, 384, 256-261)

6. Schulze et al. stated that the TPD feature from ~180 K to ~ 240 K of water when co-adsorbed with oxygen on Ni(111) results from varying water bond energies and differing water-water interactions. This statement is incorrect. (Schulze M. et al, J. Anal. Chem. 1995, 353, 661-665)

7. Henkelman et al. concluded that for resurfacing of H located underneath a surface-bound species on Ni(111), the surface species either moves out of the way, or the subsurface H hops to adjacent subsurface sites before hopping out into a vacant surface site. To reach this conclusion these authors did not consider all relevant possibilities. (Henkelman G. et al, J. Chem. Phys. 2006, 124, 044706) 8. It is difficult to identify water clusters by spectroscopic means only, as evidenced

by discrepancies in vibrational mode assignments by the different groups.

Because of its atomic resolution capability, STM can help resolve such discrepancies and can provide detailed information about the structure and dynamics of adsorbed water. (Mitsui T. et al, Science 2002 297, 1850-1852) 9. The rapid development of computer power and computational methods will result

in the replacement of many experimental measurements by computer simulations.

10. It’s not about how much you give, it’s about how little you expect back.

Junjun Shan Leiden, 15 October 2009

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