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Can I read Density functional theory analysis of the Ni(1 1 0)c(2 × 2)-CN surface phase on EtoBox?
Density functional theory analysis of the Ni(1 1 0)c(2 × 2)-CN surface phase by M.J. Knight; J. Robinson; D.P. Woodruff is a Physics and Astronomy article available to read on EtoBox.
What is Density functional theory analysis of the Ni(1 1 0)c(2 × 2)-CN surface phase about?
Density functional theory slab calculations have been used to investigate the structure of the Ni(1 1 0)c(2 • 2)-CN adsorption phase. The results show excellent agreement with experimental quantitative determinations of this structure by photoelectron diffraction and low energy electron diffraction. In particular, they show that a lying-down orientation with the C-N axis along [0 0 1] perpendicular to the close-packed 1⁄2 1 1 0 Ni rows on the surface is strongly favoured over end-on adsorption (with the C-N axis perpendicular to the surface). This geometry is also favoured over a lying-down geometry with the C-N axis aligned along the 1⁄2 1 1 0 azimuth, as originally proposed for this system and supported by cluster calculations.
Who reads Density functional theory analysis of the Ni(1 1 0)c(2 × 2)-CN surface phase?
It is typically read by researchers, students, and practitioners in Physics and Astronomy.
- Author
- M.J. Knight; J. Robinson; D.P. Woodruff
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 0039-6028)
- Published
- 2005
- Language
- EN
- Field
- Physics and Astronomy (Physical Sciences)