Coverage-dependent Bond Length of Chlorine Adsorbed on Cu{111}

Way, W. K.; Pike, A.C.W.; Rosencrance, S. W.; Braun, Robert M.; Winograd, Nicholas

doi:10.1002/(sici)1096-9918(199602)24:2<137::aid-sia72>3.0.co;2-1

Cited by 14 publications

(14 citation statements)

References 19 publications

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“…However, the situation has been already less clear for Cl on Ag(111) although the structure has been solved long ago ,,− and Ag − low-index surfaces and also to the (√3×√3) R 30° pattern obtained for 0.33 monolayer (ML) coverage of Cl and I on the Cu(111), − Rh(111), , Pd(111), , and Ag(111) ,,− metal surfaces. …”

Section: Introductionmentioning

confidence: 99%

A Systematic Study of the Structure and Bonding of Halogens on Low-Index Transition Metal Surfaces

2006

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The structure and bonding of halogens on various transition metal low-index surfaces has been studied by means of density functional theory (DFT) calculations using periodic slabs to model the surface. This approach is shown to be capable of reproducing available experimental data of naked and halogen-covered surfaces. Periodic trends are discerned and discussed for several properties, including metal-halogen bond distances and vibrational frequencies, adsorption energies, and bond ionicities, which have been evaluated by a Bader population analysis of the corresponding density. A simple correlation is discerned, relating the bond ionicity to the metal work function, so that higher work function surfaces are associated with more covalent bonding. Periodic trends in bond ionicities and metal-halogen vibrational frequencies are in harmony with corresponding data derived in an electrochemical environment, indicating that the metal-halogen bonding in vacuum share some features with the electrode metal surface-halogen bonding.

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Section: Introductionmentioning

confidence: 99%

A Systematic Study of the Structure and Bonding of Halogens on Low-Index Transition Metal Surfaces

2006

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“…5) is in reasonable agreement with these reported findings. Way et al 10 have shown by shadow-cone-enhanced SIMS that the copper-chlorine bond length decreases as packing is increased. This is in accord with a further noticeable feature of the disordered region: the packing of ions appears closer in the direction along the rows.…”

Section: Nanostructuresmentioning

confidence: 99%

Atomic force microscopy imaging of chloride ions adsorbed on etched polycrystalline copper in dilute HCl

Castle¹,

Zhdan²,

Singjai³

1999

Surf. Interface Anal.

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In this paper, we study surface atomic structures of etched polycrystalline copper in dilute HCl using contact force mode atomic force microscopy (AFM). The microstructures, i.e. the average grain size, the surface roughness and the section analysis, were investigated before examination at an atomic level. For the present work, we selected for investigation the topmost grain, assumed to be fccf111g, which is known to be the most stable face thermodynamically. The hexagonal structure of the ( √ 3 × √ 3)R30°-Cl is well resolved. The imperfections of crystal grains, e.g. dislocations, steps and kinks of the adsorbed layer that are a reflection of the underlying substrate, are also revealed. Moreover, the dependence of corrugation amplitudes on the contact forces, which was anticipated from previous simulation results, is confirmed. Our experimental result has shown that the corrugation amplitude decreased as the imaging set point (equivalent to the contact force) is lowered, i.e. as the set point is decreased from −3.0 to −5.0 V the corrugation amplitude reduces from 0.46 ± 0.12 to 0.27 ± 0.07Å.

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“…The adsorption of chlorine on Cu(111) has been a subject of extensive experimental studies since the 1970s [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16] . In the first work, Goddard and Lambert 1 studied the Cl/Cu(111) system with temperature programmed desorption (TPD), Auger electron spectroscopy (AES), work function measurements and low-energy electron diffraction (LEED).…”

Section: Introductionmentioning

confidence: 99%

“…The adsorption of chlorine on Cu(111) has been a subject of extensive experimental studies since the 1970s. − In the first work, Goddard and Lambert studied the Cl/Cu(111) system with temperature-programmed desorption (TPD), Auger electron spectroscopy (AES), work function measurements, and low-energy electron diffraction (LEED). According to TPD and AES spectra obtained in ref , only one chemical state (chemisorbed chlorine) has been identified on the Cu(111) surface.…”

Section: Introductionmentioning

confidence: 99%

First-Principle Study of Adsorption and Desorption of Chlorine on Cu(111) Surface: Does Chlorine or Copper Chloride Desorb?

2016

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First-principle density-functional calculations have been applied to study the interaction of molecular chlorine with the (111) plane of copper. Using transition-state search method, we considered the elementary processes (Cl2 dissociation, adsorption, diffusion, association and desorption) on the chlorinated Cu(111) surface. A systematic study of possible desorption pathways has been carried out for different species (Cl, Cl2, CuCl, CuCl2, and Cu) at various chlorine coverage. As a result, we concluded that chlorine monolayer irrespective of the coverage desorbs in the form of CuCl molecules from step edges.

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Coverage-dependent Bond Length of Chlorine Adsorbed on Cu{111}

Cited by 14 publications

References 19 publications

A Systematic Study of the Structure and Bonding of Halogens on Low-Index Transition Metal Surfaces

A Systematic Study of the Structure and Bonding of Halogens on Low-Index Transition Metal Surfaces

Atomic force microscopy imaging of chloride ions adsorbed on etched polycrystalline copper in dilute HCl

First-Principle Study of Adsorption and Desorption of Chlorine on Cu(111) Surface: Does Chlorine or Copper Chloride Desorb?

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