Modeling adsorption of CO2 on Ni(110) su
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Xunlei Ding; V. Pagan; M. Peressi; F. Ancilotto
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Article
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2007
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Elsevier Science
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English
β 368 KB
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