Rotational Alignment of D<sub>2</sub> Desorbing from Pd(100)

Wetzig, D.; Dopheide, R.; David, Rudolf; Zacharias, H.

doi:10.1002/bbpc.199500084

Cited by 6 publications

(5 citation statements)

References 22 publications

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“…The calculations are, however, performed for a p͑2 3 2͒ reconstruction of S on Pd(100) and thus for a coverage of a quarter monolayer, while the experiments are carried out for a nominal coverage of Q S 0.5 ML. For rotational states up to J 00 6 the alignment of D 2 molecules desorbing from the S-poisoned surface is generally lower than that for desorption from the clean surface [13,14]. This is again in accordance with the topology of the PES for the S-covered surface which generally shows a larger extension along the direction of the surface normal than that for the clean Pd(100) surface [2,3,17].…”

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confidence: 65%

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Mechanism of the Poisoning Action Of Sulfur on Catalytically Active Pd(100)

2001

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The influence of sulfur adsorbates on the stereodynamics of surface reactions is evaluated for the associative desorption of D2 from Pd(100). The experimental results show that translational and rotational steering is more effective than at the clean surface, which implies that the potential energy surface (PES) for the reaction shows a larger spatial extension into the vacuum than for the clean surface. A significant polar corrugation of the PES becomes evident at high J" states. At J" = 8 a very strong coverage dependence of the alignment with A(2)0 = 0.07+/-0.06 at the clean surface and A(2)0 = 0.60+/-0.11 at Theta(S) = 0.5 monolayer is observed. This coverage dependence indicates a shift of the reaction site from the bridge to the c-type hollow position at a sulfur coverage of more than Theta(S) = 0.25 monolayer.

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confidence: 65%

“…Equation (1) has to be evaluated for I k and I Ќ . The quadrupole alignment factor A ͑2͒ 0 is then connected to the experimentally observed fluorescence anisotropy P by [13,14] …”

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confidence: 99%

Mechanism of the Poisoning Action Of Sulfur on Catalytically Active Pd(100)

2001

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“…As described earlier [23], [21], the experimentally determined molecular polarization P is directly connected with the quadrupole alignment factor A (2)…”

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confidence: 67%

“…(2) 0 on the molecular polarization P for a R(1) line of the 1 Σ-1 Σ electronic transition [23], the error bar on the alignment obtained is very large.…”

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confidence: 89%

Rotational corrugation in associative desorption of D ₂ from Cu(111)

et al. 1996

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We report rotationally state-resolved measurements of the average steric orientation of D2 molecules desorbing from a Cu(111) surface. The desorbing flux of D2 molecules is probed by laser-induced fluorescence with linearly polarized tunable vacuum ultraviolet radiation in theMolecules desorbing in the vibrational ground state show for all rotational states measured (J = 1-8) a quadrupole alignment factor, A(2) 0 , compatible with a spatially isotropic distribution. A strong azimuthal, polar, and lateral corrugation of the dissociative interaction potential can cause this behavior.

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“…This alignment can actually be measured by laser-induced fluorescence ͑LIF͒. 37 In Fig. 6 is plotted the rotational alignment parameter A 0…”

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Dynamics of hydrogen dissociation at the sulfur-covered Pd(100) surface

Groß

Scheffler

2000

Phys. Rev. B

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We report calculations of the dissociative adsorption and associative desorption of H 2 at Pd͑100͒ covered with 1/4 monolayer of sulfur using quantum dynamics as well as molecular dynamics and taking all six degrees of freedom of the two H atoms fully into account. The potential energy surface ͑PES͒ has been derived from density-functional theory calculations. The absolute value of the calculated sticking coefficient turns out to be at variance with a molecular beam experiment. However, the relative change of the sticking coefficient as a function of the angle of incidence as well as the mean kinetic energy and the rotational alignment of desorbing hydrogen molecules agree quite well with the experiment. This indicates that the calculated PES reproduces the most favorable reaction path, but that in the experiment the sulfur adlayer was probably not very well ordered.

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Rotational Alignment of D₂ Desorbing from Pd(100)

Cited by 6 publications

References 22 publications

Mechanism of the Poisoning Action Of Sulfur on Catalytically Active Pd(100)

Mechanism of the Poisoning Action Of Sulfur on Catalytically Active Pd(100)

Rotational corrugation in associative desorption of D ₂ from Cu(111)

Dynamics of hydrogen dissociation at the sulfur-covered Pd(100) surface

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Rotational Alignment of D2 Desorbing from Pd(100)

Cited by 6 publications

References 22 publications

Mechanism of the Poisoning Action Of Sulfur on Catalytically Active Pd(100)

Mechanism of the Poisoning Action Of Sulfur on Catalytically Active Pd(100)

Rotational corrugation in associative desorption of D 2 from Cu(111)

Dynamics of hydrogen dissociation at the sulfur-covered Pd(100) surface

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Rotational Alignment of D₂ Desorbing from Pd(100)

Rotational corrugation in associative desorption of D ₂ from Cu(111)