Structure analysis of S adsorbed on Ni(111) by low energy Li+ ion scattering

Ku, Yi-Sha; Overbury, Steven H.

doi:10.1016/0039-6028(92)90714-h

Cited by 37 publications

(23 citation statements)

References 32 publications

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“…Clearly D is rather sensitive to the geometry and the minimum in this value corresponds to a vertical S-Ni distance of ~ tive estimate for the total number of electrons counted at each point is ~ 106 giving a corresponding value of ao of 10 -3. This gives the vertical S-Ni distance as 1.30___0.01 A, leading to a S-Ni bond distance of 2.20-t-0.02 ~, and is in good agreement with measurements on both Ni(lll) and Ni(001) using other methods [19][20][21][22], The best-fit spectrum (for a vertical S-Ni distance of 1.30A) is shown in Fig. 4B, and clearly the agreement between theory and experiment is good.…”

Section: Discussionsupporting

confidence: 83%

“…In all cases, the S-Ni bond length was taken to be 2.20 A and the C-S bond length 1.85 A. The values of the S-Ni and C-S bond lengths used in these simulations are close to those found for atomic S on Ni [19][20][21][22] and for gas-phase CH3SH [23], respectively. The C-S bond was oriented normal to the surface (see below).…”

Section: Discussionmentioning

confidence: 89%

“…Sulfur adsorbs in the four-fold hollow site on Ni(001) at a height of 1.30 A above the top Ni layer [19][20][21][22]. There is a Ni atom directly beneath the S atom in the second layer.…”

Section: Discussionmentioning

confidence: 99%

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The adsorption site and orientation of CH3S and sulfur on Ni(001) using angle-resolved X-ray photoelectron spectroscopy

et al. 1997

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Photoelectron diffraction from the S 2p core level has been used to determine the adsorption site and orientation of sulfur and methyl thiolate (CH3S) on Ni(001) by comparing the experimental data with the results of multiple scattering calculations. The theory was initially checked for atomic S, which is known to adsorb in the four-fold hollow site on Ni(001), and the results corresponded to the correct geometry. Comparison of calculated spectra with the experimental data indicates that chemisorbed atomic sulfur is located at 1.30___0.01 A above the first layer of nickel atoms on the (001) plane. At 100 K, CH3S adsorbs in the fourfold site on Ni(001), where the C-S bond is proposed to be oriented along the surface normal on Ni(001). A comparison between calculated and experimental results demonstrate that the C-S bond in adsorbed methyl thiolate is oriented perpendicular to the surface and is 1.85-t-0.1 _A long.

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Section: Discussionsupporting

confidence: 83%

Section: Discussionmentioning

confidence: 89%

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The adsorption site and orientation of CH3S and sulfur on Ni(001) using angle-resolved X-ray photoelectron spectroscopy

et al. 1997

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“…composite have been identified using Raman spectroscopy after exposure to H 2 fuel containing 100 ppm H 2 S at 1000 K for 5 days [8]. Although various experimental and theoretical calculations have been performed [2,3,[9][10][11][12][13][14][15], to the best of our knowledge, a direct comparison of sulfur tolerance on Ni and Cu surfaces at the same level of periodic density functional theory (DFT)…”

Section: Introductionmentioning

confidence: 99%

Ab initio analysis of sulfur tolerance of Ni, Cu, and Ni–Cu alloys for solid oxide fuel cells

Choi

Compson

Lin

et al. 2007

Journal of Alloys and Compounds

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“…The nature of this reconstruction has now been firmly established. It was determined by ion scattering [4] and SEXAFS [5] that the S adatoms adsorb in three-fold hollow sites at low coverage. At higher coverage it was concluded that the close-packed structure of the first Ni layer was disrupted and that the coordination of the S adsorption site was increased.…”

Section: Structurementioning

confidence: 99%

Applications of Sxps for Studying Surface Structure, Reaction Mechanisms and Kinetics

1994

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REACTION MECHANISMS AND KINETICS 7 ) . a s U b m n s d -~-by a antnaQ d um us. ~u d a c m m n N a M -.\~-84oR214M). -. us.G o M m n a n r s P r r . ABSTRACTSoft x-ray photoelectron spectroscopy ( S X P S ) from the S 2p core level has been used to study adsorbate induced reconstruction, identify reaction intermediates and study reaction kinetics on the Ni( 11 1) surface. The S 2p binding energy is affected by the nature of the surface adsorption site. It has been determined from the number of S 2p states and their relative binding energies that adsorbed S induces a reconstruction of the Ni ( 1 1 1 ) surface and that the S adsorbs in fourfold sites on terraces and in troughs. S 2p SXPS has also been used to identify adsorbed species during the thermal decomposition of methanethiol on Ni(l11). CH,SH adsorbs as CH,S-at low temperatures. Above 200 K, the CH,S-changes adsorption site and the C-S bond begins to cleave. The relative concentrations of CH,S-in the two different sites and of atomic S have been monitored as a function of temperature and initial coverage. As a result of the sensitivity and resolution available in SXPS, reactions rates and kinetic parameters have been obtained for the decomposition of benzenethiol on Ni(ll1) by monitoring the changes in the surface composition continuously as a function of temperature and time.

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Structure analysis of S adsorbed on Ni(111) by low energy Li+ ion scattering

Cited by 37 publications

References 32 publications

The adsorption site and orientation of CH3S and sulfur on Ni(001) using angle-resolved X-ray photoelectron spectroscopy

The adsorption site and orientation of CH3S and sulfur on Ni(001) using angle-resolved X-ray photoelectron spectroscopy

Ab initio analysis of sulfur tolerance of Ni, Cu, and Ni–Cu alloys for solid oxide fuel cells

Applications of Sxps for Studying Surface Structure, Reaction Mechanisms and Kinetics

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