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Journal Article

Adsorption characteristics of CO and N2 on RuO2(110)

MPS-Authors
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Kim,  Young Dok
Physical Chemistry, Fritz Haber Institute, Max Planck Society;

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Seitsonen,  Ari P.
Theory, Fritz Haber Institute, Max Planck Society;

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Over,  Herbert
Physical Chemistry, Fritz Haber Institute, Max Planck Society;

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e115419.pdf
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Citation

Kim, Y. D., Seitsonen, A. P., & Over, H. (2001). Adsorption characteristics of CO and N2 on RuO2(110). Physical Review B, 63(11): 115419. doi:10.1103/PhysRevB.63.115419.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0011-18C7-4
Abstract
Low-energy electron diffraction and density-functional theory calculations are used to examine the adsorption properties of CO and N-2 On RuO2(110). Both molecules adsorb over the coordinatively unsaturated Ru sites (cus-Ru atoms) with their molecular axes normal to the surface plane. The chemisorption mechanism is well described within a donor-acceptor model, i.e., the Blyholder model. Since N-2 is not reacting with lattice oxygen of RuO2, quite in contrast to CO, N-2 may serve as a chemical, nondestructive probe to titrate but also to selectively block the cus-Ru atoms; recently, the cus-Ru atoms were shown to be the active centers for the chemisorption of molecules.