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Adsorption of CO on Ni-promoted TiO2(110)

✍ Scribed by Ming-Cheng Wu; PrebenJ. Møller


Publisher
Elsevier Science
Year
1991
Weight
69 KB
Volume
250
Category
Article
ISSN
0167-2584

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Modeling adsorption of CO2 on Ni(110) su
✍ Xunlei Ding; V. Pagan; M. Peressi; F. Ancilotto 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 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