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The structure of the Ni(100)c(2x2)-N-2 surface: a chemical-state-specific scanned-energy mode photoelectron diffraction determination
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UNSPECIFIED (2003) The structure of the Ni(100)c(2x2)-N-2 surface: a chemical-state-specific scanned-energy mode photoelectron diffraction determination. Surface Science, 538 (1-2). pp. 59-75. doi:10.1016/S0039-6028(03)00645-9 ISSN 0039-6028.
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Official URL: http://dx.doi.org/10.1016/S0039-6028(03)00645-9
Abstract
Using the chemical shift in the N 1s photoemission peak from the two inequivalent N atoms of N-2 adsorbed on Ni(1 0 0) we have performed a scanned-energy mode photoelectron diffraction (PhD) structure determination of the Ni(1 0 0)c(2 x 2)-N-2 weak chemisorption system. The N-2 is found to adsorb atop surface Ni atoms with the N-N axis perpendicular to the surface at a Ni-N nearest-neighbour distance of 1.81 +/- 0.02 Angstrom. This is very significantly shorter than the value (2.25 Angstrom) found in an earlier published study. An independent density-functional theory slab calculation yields a value of 1.79 Angstrom, in excellent agreement with the results of the current experiment. Analysis of the PhD modulations of the N 1s photoemission satellite peak show that these are consistent with this comprising separable components localised at the two N atoms as has previously been assumed in an earlier investigation based on (anglescan) X-ray photoelectron diffraction. Both experiment and theory indicate a small extension of the N-N distance due to the adsorption (0.03 +/- 0.03 Angstrom and 0.02 Angstrom respectively). (C) 2003 Elsevier Science B.V. All rights reserved.
Item Type: | Journal Article | ||||
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Subjects: | Q Science > QD Chemistry Q Science > QC Physics |
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Journal or Publication Title: | Surface Science | ||||
Publisher: | ELSEVIER SCIENCE BV | ||||
ISSN: | 0039-6028 | ||||
Official Date: | 10 July 2003 | ||||
Dates: |
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Volume: | 538 | ||||
Number: | 1-2 | ||||
Number of Pages: | 17 | ||||
Page Range: | pp. 59-75 | ||||
DOI: | 10.1016/S0039-6028(03)00645-9 | ||||
Publication Status: | Published |
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