Michaelides, A;
Hu, P;
Lee, MH;
Alavi, A;
King, DA;
(2003)
Resolution of an ancient surface science anomaly: Work function change induced by N adsorption on W{100}.
PHYS REV LETT
, 90
(24)
, Article 246103. 10.1103/PhysRevLett.90.246103.
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Abstract
For many decades it has been assumed that an adsorbate centered above a metal surface and with a net negative charge should increase the work function of the surface. However, despite their electronegativity, N adatoms on W{100} cause a significant work function decrease. Here we present a resolution of this anomaly. Using density functional theory, we demonstrate that while the N atom carries a negative charge, of overriding importance is a reduction in the surface overspill electron density into the vacuum, when that charge is engaged in bonding to the adatom. This novel interpretation is fundamentally important in the general understanding of work function changes induced by atomic adsorbates.
Type: | Article |
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Title: | Resolution of an ancient surface science anomaly: Work function change induced by N adsorption on W{100} |
Open access status: | An open access version is available from UCL Discovery |
DOI: | 10.1103/PhysRevLett.90.246103 |
Publisher version: | http://dx.doi.org/10.1103/PhysRevLett.90.246103 |
Language: | English |
Additional information: | © 2003 The American Physical Society |
Keywords: | SINGLE-CRYSTAL PLANES, NITROGEN, TUNGSTEN, CHEMISORPTION |
UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
URI: | https://discovery.ucl.ac.uk/id/eprint/91433 |
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