DOI: 10.1063/1.438041. Chemisorption geometry of hydrogen on Ni(111): Order and disorder

Chemisorption geometry of hydrogen on Ni(111): Order and disorder

10.1063/1.438041

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The location of a half monolayer of ordered hydrogen adatoms on Ni(111) has been analyzed by Low-Energy Electron Diffraction (LEED), Thermal Desorption Spectroscopy (TDS), and Work Function (Δφ) measurements. It is found that the hydrogen atoms are arranged in an overlayer of graphitic structure with a (2×2) unit cell with respect to the substrate unit cell. In the ordered regions, the hydrogen adatoms occupy both types of three fold hollow sites without a detectable difference in the Ni–H bond lengths between the two sites. The Ni–H bond length is found to be 1.84±0.06 Å, corresponding to an overlayer-substrate spacing of 1.15±0.1 Å. The relation between this structure and its observed order–disorder phase diagram as a function of temperature and hydrogen coverage is discussed. The disorder is discussed in detail, and a novel ’’atomic band structure’’ interpretation is given.

Bibliography

Christmann, K., Behm, R. J., Ertl, G., Van Hove, M. A., & Weinberg, W. H. (1979). Chemisorption geometry of hydrogen on Ni(111): Order and disorder. The Journal of Chemical Physics, 70(9), 4168â4184.

Authors 5

K. Christmann (first)
R. J. Behm (additional)
G. Ertl (additional)
M. A. Van Hove (additional)
W. H. Weinberg (additional)

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Dates

Type	When
Created	22 years, 5 months ago (Feb. 27, 2003, 5:52 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 2:40 p.m.)
Indexed	2 weeks ago (Aug. 7, 2025, 5:13 p.m.)
Issued	46 years, 3 months ago (May 1, 1979)
Published	46 years, 3 months ago (May 1, 1979)
Published Print	46 years, 3 months ago (May 1, 1979)

Funders 0

None

BibTeX

@article{Christmann_1979, title={Chemisorption geometry of hydrogen on Ni(111): Order and disorder}, volume={70}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.438041}, DOI={10.1063/1.438041}, number={9}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Christmann, K. and Behm, R. J. and Ertl, G. and Van Hove, M. A. and Weinberg, W. H.}, year={1979}, month=may, pages={4168–4184} }

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