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Jugnet, Y.; Prakash, Natarajan; Bertolini, J.C.; Laroze, S.C.; Raval, Rasmita

doi:10.1023/a:1019024105077

Cited by 27 publications

(13 citation statements)

References 1 publication

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“…A schematic representation of trichloroethene adsorption on PdCu(110) is shown in Fig. 3; this scheme has been observed for Cu(110), 14 although further studies using Reflection-Absorption Infrared Spectroscopy (RAIRS) and temperature-programmed desorption (TPD) are required to confirm it for the alloy surface. It is apparent that the effects of Cl(ads) and C(ads) oppose each other so that the actual effect of Cl may be to promote higher levels of Cu enhancement than that observed for trichloroethene adsorption.…”

Section: Clean Surfacementioning

confidence: 87%

Pd/Cu alloys as hydrodechlorination catalysts: a medium-energy ion scattering study of surface composition under exposure to chlorinated hydrocarbons

Noakes

Bailey

Laroze

et al. 2000

Surf. Interface Anal.

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Section: Clean Surfacementioning

confidence: 87%

Pd/Cu alloys as hydrodechlorination catalysts: a medium-energy ion scattering study of surface composition under exposure to chlorinated hydrocarbons

Noakes

Bailey

Laroze

et al. 2000

Surf. Interface Anal.

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“…Metals such as Pt, Pd, and Cu have been suggested to be excellent catalysts for the dechlorination reaction in terms of activity, selectivity, and stability. − …”

Section: Introductionmentioning

confidence: 99%

Chemisorption of Trichloroethene on the PdCu Alloy (110) Surface: A Periodical Density Functional Study

2002

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In the present work different adsorption modes of trichloroethene on the PdCu alloy have been investigated systematically. With application of ab initio periodic density functional theory, some insights about these adsorption modes have been revealed. The two different (110) terminations of the Cu3Pd alloy have been employed as models for the surface region of the Cu50Pd50 alloy because of Cu segregation. They are based on the regular phase of the face-centered cubic (fcc) structure. The first model shows a mixed (Pd/Cu )1) top layer, whereas the other one is Cu-terminated. The analysis of the position of the center of the d-band projected on the Pd and Cu atoms of both surfaces indicated that the Pd atom in the alloy has similar reactivity to the pure metal surface, whereas the opposite trend has been found for the Cu atoms. This has also been confirmed by the adsorption energy, calculated for the distinct modes. Trichlorethene prefers to interact with the Pd atoms on the mixed PdCu surface. Both di-σ and π modes are the most stable configurations among all studied. On the other hand, the adsorption via the chlorine atoms is the preferred on the Cu-terminated surface. The interaction of the CdC bond of trichloroethene on the Pd atoms is similar to the one of the ethene molecule. The main difference between the adsorption of these two molecules is due to the extra chlorine interactions with the Cu atoms. This allows one to suggest that the di-σ configurations are the precursors of the dissociation reaction on the mixed surface.

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“…355 cm À1 due to the C-Cl-Au stretching mode. 16 The vibrations at ca. 545, 710 and 865 cm À1 are due to C-Cl stretching, 17 the first two coupled with antisymmetric and symmetric deformations of the phenyl rings, respectively.…”

mentioning

confidence: 99%

An ordered organic radical adsorbed on a Cu-doped Au(111) surface

et al. 2012

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The tri-para-carboxylic polychlorotriphenylmethyl radical adsorption on a Cu/Au(111) surface has been investigated in ultra-high vacuum environment. The presence of copper favours the formation of metal-organic assemblies, which are analysed using scanning tunnelling microscopy (STM) and high resolution electron energy loss spectroscopy (HREELS). DFT methods indicate that the unpaired electron survives after adsorption, thus creating systems which could be regarded as potential candidates for spintronics applications.

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Cited by 27 publications

References 1 publication

Pd/Cu alloys as hydrodechlorination catalysts: a medium-energy ion scattering study of surface composition under exposure to chlorinated hydrocarbons

Pd/Cu alloys as hydrodechlorination catalysts: a medium-energy ion scattering study of surface composition under exposure to chlorinated hydrocarbons

Chemisorption of Trichloroethene on the PdCu Alloy (110) Surface: A Periodical Density Functional Study

An ordered organic radical adsorbed on a Cu-doped Au(111) surface

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