2000
DOI: 10.1016/s0039-6028(00)00767-6
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The dynamic interaction of CO with Ru(0001) in the presence of adsorbed CO and hydrogen

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Cited by 32 publications
(41 citation statements)
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“…CO adsorption is non-activated and non-dissociative. [10][11][12][13] Adsorption takes place by donation of CO 5s electrons to the substrate and back-donation from the metal into the unoccupied 2p* orbital of CO. [14,15] The molecule attaches to the surface through the C end at all coverages, [16][17][18] with the on-top position preferred up to a CO coverage q CO of 1/3 monolayers (ML). [19][20][21][22] For surface temperatures T S below 150 K and q CO 1/3 ML, a lattice gas is in equilibrium with ( ffiffi ffi 3 p ffiffi ffi 3 p )R308 islands.…”
Section: Introductionmentioning
confidence: 99%
“…CO adsorption is non-activated and non-dissociative. [10][11][12][13] Adsorption takes place by donation of CO 5s electrons to the substrate and back-donation from the metal into the unoccupied 2p* orbital of CO. [14,15] The molecule attaches to the surface through the C end at all coverages, [16][17][18] with the on-top position preferred up to a CO coverage q CO of 1/3 monolayers (ML). [19][20][21][22] For surface temperatures T S below 150 K and q CO 1/3 ML, a lattice gas is in equilibrium with ( ffiffi ffi 3 p ffiffi ffi 3 p )R308 islands.…”
Section: Introductionmentioning
confidence: 99%
“…25 In that study it was found that CO is scattered in a very wide angular distribution and that the energy transfer was consistent with collision of the incident CO with approximately two adsorbed CO molecules. Thus, the picture was established of CO being reflected from a highly corrugated but closed overlayer.…”
Section: Introductionmentioning
confidence: 78%
“…It is nonactivated and nondissociative. [23][24][25] The molecules attach to the surface via the C-end at all coverages. 26,27 They reside preferentially in the on-top position up to a coverage (θ CO ) of 1/3 monolayers (ML).…”
Section: Introductionmentioning
confidence: 99%
“…On the bare ruthenium surface CO adsorption is known to be nonactivated. 38,39 Some points on the potential energy surface were chosen by fixing the distance between the carbon atom and the surface plane ͑prac-tically the z coordinate of the C atom was not allowed to change͒. The TS is refined by performing a quasi-Newtonian optimization of the geometry based on the forces and not on the energy.…”
Section: A Calculationsmentioning
confidence: 99%
“…The dynamics of adsorption on the clean surface are described in more detail elsewhere. 39 In the low energy regime between 0.08 and 30 kJ mol…”
Section: B Experimentsmentioning
confidence: 99%