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Resolution of an ancient surface science anomaly: Work function change induced by N adsorption on W{100}

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. Green open access

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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
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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