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The adsorption of Ni on W (110) and (211) surfaces

✍ Scribed by J. Koa̵czkiewicz; E. Bauer


Publisher
Elsevier Science
Year
1984
Weight
54 KB
Volume
144
Category
Article
ISSN
0167-2584

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The adsorption of CO 2 on Ni(110) surface is simulated within the framework of density functional theory using ab-initio pseudopotentials. Beyond possible adsorbed geometries with C 2v symmetry, suggested by analogy with the formate adsorption, a geometry with lower symmetry but higher adsorption en