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Chemisorption geometry of hydrogen on Ni/111/ - Order and disorder

Journal Article · · J. Chem. Phys.; (United States)
DOI:https://doi.org/10.1063/1.438041· OSTI ID:5120723
 [1];
  1. Muenchen, Universitaet, Munich, West Germany
The location of a half monolayer of ordered hydrogen adatoms on Ni(111) has been analyzed by LEED, thermal desorption spectroscopy, and work function measurements. It is found that the hydrogen atoms are arranged in an overlayer of graphitic structure with a (2 x 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 plus or minus 0.06 A, corresponding to an overlayer-substrate spacing of 1.15 plus or minus A. 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.
OSTI ID:
5120723
Journal Information:
J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 70; ISSN JCPSA
Country of Publication:
United States
Language:
English