FIRST-PRINCIPLES STUDY OF Ni ADSORPTION ON Mo(110)
AbstractThe adsorption of Ni atom on the Mo(110) surface has been studied within the density functional theory framework. It turned out that Ni–Mo surface alloy was formed with Ni atoms substituting Mo atom in the outermost layer. The subsurface site adsorption was found to be not preferred. Geometric analysis showed that the rumpling between substitutional Ni and Mo in the first alloy layer was about 0.108 Å at medium and low coverage (Θ). In addition, the diffusion of Ni on bare and Ni-substitutional Mo(110) surface has been investigated. It was shown that the diffusion energy barrier was reduced as the increase of coverage on bare Mo(110) surface, which supports the switch of growth mode layer-by-layer to Stranski–Krastanov as the function of coverage. Substitutional Ni atom only slightly increases the energy barrier for Ni diffusion on Mo(110) surface.
Download InfoIf you experience problems downloading a file, check if you have the proper application to view it first. In case of further problems read the IDEAS help page. Note that these files are not on the IDEAS site. Please be patient as the files may be large.
Bibliographic InfoArticle provided by World Scientific Publishing Co. Pte. Ltd. in its journal Surface Review and Letters.
Volume (Year): 15 (2008)
Issue (Month): 05 ()
Contact details of provider:
Web page: http://www.worldscinet.com/srl/srl.shtml
You can help add them by filling out this form.
reading list or among the top items on IDEAS.Access and download statisticsgeneral information about how to correct material in RePEc.
For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: (Tai Tone Lim).
If references are entirely missing, you can add them using this form.