Relaxation of the edge atoms of a stepped Cu(410) surface

The edge atom position of the stepped Cu(410) surface has been investigated with low energy ion scattering (LEIS) using 10–20 keV H⁺. It is possible to determine the atomic position by utilizing atomic shadowing effects. The scattered particles are analysed with a time-of-flight spectrometer. This means that we can detect scattered hydrogen leaving the copper surface in the neutral state as well as in the charged state, so the influence of neutralization of the scattered particles along different outgoing trajectories is eliminated. We find an inward relaxation of the edge atoms; assuming that this relaxation takes place in the (100) plane it amounts to about 8% of the interlayer spacing.     

Poisoning and non-poisoning oxygen on Cu(410)

We have investigated ethene and oxygen co-adsorption on Cu(410) by high resolution electron energy loss spectroscopy. We find that these two species compete for the adsorption sites and that pre-exposure to oxygen affects ethene adsorption more or less strongly depending on oxygen coverage and the kind of occupied sites. The c(2 × 2) O overlayer is inert with respect to ethene adsorption, while when some oxygen is removed by thermally induced subsurface incorporation, ethene chemisorption is restored. The latter species also adsorbs on the disordered oxygen phase formed when O(2) is dosed at low crystal temperature. Contrary to the bare surface case, most of the ethene ends up in a π-bonded configuration. Dehydrogenation occurs, too, albeit as a minority channel. The so-produced carbon reacts already at low temperature with adsorbed oxygen to yield carbon monoxide, which desorbs around 190 K.     

Dynamics of image-potential states on stepped Cu(001) surfaces

The dynamical properties of image-potential states on stepped Cu(117) and Cu(118) surfaces were studied by time- and angle-resolved two-photon photoelectron spectroscopy. The interaction with the step-induced potential leads to quasielastic anisotropic scattering between image-potential-state bands. In particular, resonant interband scattering from image-potential states with quantum numbers n2 to the n=1 band and quasielastic intraband scattering within the n=1 band show high efficiency. In spite of the higher step density of Cu(117), resonant scattering is about four times larger on Cu(118). This distinction is attributed to the different step distributions of the two surfaces and to the concomitant correlation of the step arrangement on short- and long-range scales, which has been studied by scanning tunneling microscopy. Details of the surface band structure lead to different boundary conditions and may weakly affect scattering probabilities. PACS 73.20.At; 79.60.Bm; 79.60.Dp; 79.60.Ht     

Image-potential states on stepped Cu (001) surfaces

Image-potential states on Cu (117) and Cu (119) surfaces were studied by means of two-photon photoelectron spectroscopy. The regular array of steps generates a lateral potential on the vicinal surfaces, which modifies the surface-electronic structure. Compared to Cu (001), the band bottom of the n=1 image-potential states shifts by 40 meV to lower binding energy. The periodicity of the step-induced superlattice manifests itself as back-folding of the n=1 and 2 dispersion bands. At the surface Brillouin zone boundary a mini-gap opens with a width of 135 meV for the first image-potential state on Cu (117). On the vicinal surfaces the lifetime of the image-potential states is reduced by a factor of three as compared to Cu (001). This is attributed to a narrowing of the surface-projected bulk-band gap when projected along the [11n] direction. While the dephasing rate of the first image-potential state is close to the decay rate, higher members of the Rydberg-like series show negligible dephasing. Received: 16 October 2001 / Revised version: 9 April 2002 / Published online: 6 June 2002     

The structure of a stepped copper (410) surface determined by ion scattering spectroscopy

Ion Scattering Spectroscopy applied in the multiple scattering mode is used to determine the structure of a stepped Cu(410) surface. The energy of singly scattered ions is influenced by the presence of neighbour surface atoms. This effect can be used to determine interatomic distances up to about 10Å, as is shown by the results of 8 keV Ar⁺ and 11 keV Ne⁺ scattered through θ = 50°. The edge-edge distance of the stepped copper surface appears to be in accordance with the results of LEED experiments obtained by other investigators. The experiments show a good agreement with the results of the analytical 3-atom model of Poelsema. The energy of the so-called “plateau collision” appears to depend on the effective plateau length l as measured in the plane of incidence. Lengths l between 15 and 60 Å can be determined with an accuracy of 5 Å. Results are shown for 8 and 12 keV Ar⁺, θ = 40° and 60°, and 8 keV Kr⁺ θ = 40°. The experimental dependence of the energy on lis described correctly by a phenomenological model.     

A SPALEED structural study of cesium adsorption on stepped copper surfaces Cu(211) and Cu(511)

The adsorption of cesium on stepped copper surfaces Cu(211) and Cu(511) at temperatures ranging from 130 to 300 K was studied using SPALEED. The two Cu substrates differ mainly in the low index orientation of the relatively short terraces and permit a comparison of the effect of orientation on the adsorption behaviour. For coverages between 0.6 and 1.8 ML on Cu(211) within the whole temperature range Cs forms quasihexagonal layers corresponding to rows of Cs atoms running along the step edges of the substrate. A strong 15% compression of the distance between Cs atoms along the step edge direction was found. Similar structures were found on Cu(511) where in addition at crystal temperatures in excess of 250 K and coverage of 1 monolayer, the Cs atoms induce a double step reconstruction of the substrate.     

Bromine atom diffusion on stepped and kinked copper surfaces

The rates of Br atom diffusion on several single crystalline Cu surfaces have been studied because of the potential impact of Br diffusion on the selectivity of alkyl bromide surface chemistry on Cu. Density functional theory (DFT) has been used to study the diffusion of isolated bromine atoms on a flat Cu surface, Cu(1 1 1), two Cu surfaces with straight steps, Cu(2 2 1) and Cu(5 3 3), and two kinked Cu surfaces, Cu(6 4 3) and Cu(5 3 1). Bromine diffusion is rapid on the flat Cu(1 1 1) surface with a barrier of ΔE_diff = 0.06 eV and a hopping frequency of ν = 4.8 × 10¹⁰ s⁻¹ at 150 K. On the stepped and kinked surfaces the effective diffusion barriers lie in the range ΔE_diff = 0.18-0.31 eV. Thus the rates of diffusion are many orders of magnitude slower on stepped and kinked Cu surfaces than on the Cu(1 1 1) surface. Nonetheless, at temperatures relevant for alkyl bromide debromination on Cu surfaces, bromine atoms remain sufficiently mobile that they can explore all available binding sites on the timescale of the debromination reaction.     

Ethylene adsorption on regularly stepped copper surface: C2H4 on Cu(210)

Ethylene adsorption on regularly stepped Cu(210) surface was investigated with infrared reflection–adsorption spectroscopy and temperature programmed desorption. At 90 K, π-bonded ethylene was adsorbed on Cu(210) molecularly and all species were desorbed below 160 K. There were three types of π-bonded ethylene on the surface. Recent experimental studies have suggested that ethylene is dehydrogenated on Cu(410) due to the regular step [Kravchuk et al., J. Phys. Chem. C, 113 (2009) 20881]. However, neither the formation of di-σ-bonded ethylene nor dehydrogenation occurred on Cu(210).     

Inelastic atom scattering from layers of atoms and molecules on Cu(110)

The vibrational properties of adsorbed layers have been studied using inelastic He atom scattering. The substrate was Cu(110) viewed along the [001] and [11̄0] azimuth. The adsorbates included, Kr, Xe, CH₄, CD₄, C₂H₆, CO, CO₂ and O₂ and covered the region of both physisorption and chemisorption. Despite a range of binding energies and mass ratios the vibrational frequencies showed no dependence on the momentum change, i.e. scattering was dispersionless, although intensity changes occurred in the inelastic peaks. There seemed to be no dependence of the adsorbate spectra on coverage below a monolayer. The peaks of CH₄ and C₂H₆ appeared broader than those of Kr and Xe suggesting molecular motions. Further, CH₄ and C₂H₆ gave very similar spectra. Both energy gain and loss events were observed in the inelastic spectrum. For those adsorbates which gave multilayer adsorption (Xe, C₂H₆) changes in the spectra were observed as the second layer developed. In the latter category also, mixed layers (Xe on C₂H₆, Xe on CO and C₂H₆ on Xe) were studied.     

低能单个Cu原子与Cu13团簇沉积到Fe（001）表面的比较

本文利用分子动力学模拟方法对相同初始沉积条件下的单个Cu原子和Cu13团簇与Fe(001)表面的相互作用分别进行了模拟研究, 并将两者的模拟结果进行了比较分析. 单个Cu原子和Cu13团簇的初始入射能量范围均为1eV/atom、3eV/atom、5eV/atom和10eV/atom, 初始入射角度均为0o、10o、30o和45o, 衬底温度分别为100K、300K和800K. 对单个Cu原子和Cu13团簇的原子动能、质心高度、迁移距离和最终沉积形貌进行了分析, 对比研究了相同初始沉积条件下单个Cu原子和Cu13团簇在沉积过程中和沉积效果上的具体差异. 模拟结果表明: 单个Cu原子和Cu13团簇与Fe(001)表面的相互作用机制存在差异, Cu13团簇表现出显著的集体效应. 在特定沉积条件下, 由于Cu13团簇的集体效应, 导致Cu13团簇与Fe(001)表面的结合能力和在Fe(001)表面上的扩散能力均强于单个Cu原子.     

Surface electronic state on stepped Cu(755) studied by angle-resolved ultraviolet photoelectron spectroscopy using synchrotron radiation

The surface electronic state on the stepped surface of Cu(755) has been investigated by means of angle-resolved ultraviolet photoelectron spectroscopy using synchrotron radiation(SR-ARUPS). We have observed a free-electron-like surface state below the Fermi level. In spite of the anisotropy of the atomic arrangement due to steps, the surface state is shown to be isotropic since the dispersion profile and the peak shape are almost identical in the directions parallel and perpendicular to the steps. This result makes a clear contrast with the previous SR-ARUPS results on Ni(755) surfaces which have the surface structure similar to Cu(755). Those experimental evidences are discussed based upon the electron configurations of both metal substrates.