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A density-functional theory investigation on desorption of O2 on Sn(111) and its comparison with initial oxidation on the X(111) (X=Si,Ge, Sn,Pb) surfaces 下载免费PDF全文
<正>The first-principles calculations are performed to investigate the adsorption of O2 molecules on an Sn(111) 2×2 surface.The chemisorbed adsorption precursor states for O2 are identified to be along the parallel and vertical channels, and the surface reconstructions of Sn(lll) induced by oxygen adsorption are studied.Based on this,the adsorption behaviours of O2 on X(111)(X=Si,Ge,Sn,Pb) surfaces are analysed,and the most stable adsorption channels of O2 on X(111)(X=Si,Ge,Sn,Pb) are identified.The surface reconstructions and electron distributions along the most stable adsorption channels are discussed and compared.The results show that the O2 adsorption ability declines gradually and the amount of charge transferred decreases with the enhancement of metallicity. 相似文献
134.
We consider a two-dimensional Coulomb gas of positive and negative pointlike unit charges interacting via a logarithmic potential. The density (rather than the charge) correlation functions are studied. In the bulk, the form-factor theory of an equivalent sine-Gordon model is used to determine the density correlation length. At the surface of a rectilinear plain wall, the universality of the asymptotic behavior of the density correlations is suggested. A scaling analysis implies a local form of the compressibility sum rule near a hard wall. A symmetry of the Coulomb system with respect to the Möbius conformal transformation, which induces a gravitational source acting on the particle density, is established. Among the consequences, a universal term of the finite-size expansion of the grand potential is derived exactly for a disk geometry of the confining domain. 相似文献
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Microwave Doppler spectra of sea return at small incidence angles: specular point scattering contribution 下载免费PDF全文
It is well known that the sea return echo contains contributions from at least two scattering mechanisms. In addition to the resonant Bragg scattering, the specular point scattering plays an important role as the incidence angle becomes smaller (≤20o). Here, in combination with the Kirchhoff integral equation of scattering field and the stationary phase approximation, analytical expressions for Doppler shift and spectral bandwidth of specular point scattering, which are insensitive to the polarization state, are derived theoretically. For comparison, the simulated results related to the two-scale method (TSM) and the method of moment (MOM) are also presented. It is found that the Doppler shift and the spectral bandwidth given by TSM are insufficient at small incidence angles. However, a comparison between the analytical results and the numerical simulations by MOM in the backscatter configuration shows that our proposed formulas are valid for the specular point scattering case. In this work, the dependences of the predicted results on incidence angle, radar frequency, and wind speed are also discussed. The obtained conclusions seem promising for a better understanding of the Doppler spectra of the specular point scattering fields from time-varying sea surfaces. 相似文献
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Somsakul Watcharinyanon Carla Puglia Jan-E. Bäckvall Lars S.O. Johansson 《Surface science》2009,603(7):1026-9848
Tetraphenylporphyrins bearing four linkers consisting of thioacetyl-functionalized carbon chains were immobilized on a gold surface via thiolate-gold bonds using two different preparation routes. The structure of these molecular layers was characterized in detail with synchrotron radiation based core-level spectroscopy, X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. The results show that the geometry of the molecular layers and the number of linkers that bind to the gold surface depends on the preparation schemes. The deprotection of the linkers through removal of the terminal acetyl group before the molecular adsorption (deprotected systems) resulted in porphyrins bound to the gold surface with on the average three linkers, their normal axis being tilted ∼38° with respect to the surface normal. On the other hand, porphyrin layers prepared directly with the acetyl group still in place on the linkers (protected systems) are made of molecules bound to the gold surface via two linkers on the average. The resulting orientation is more upright, with the normal axis of the porphyrin plane tilted ∼50° with respect to the surface normal. Moreover, NEXAFS measurements revealed that the acetyl deprotected porphyrin layers have a higher degree of ordering than the protected systems. 相似文献
139.
Kuan-Wen Wang 《Applied Surface Science》2009,255(11):5802-5805
A series of PdxNi100−x nanoparticles were prepared by the co-precipitation method and analyzed using a temperature-programmed surface reaction (TPSR) of their methanation reactions. ESCA measurement suggested that the as-prepared Pd-Ni alloys had Pd-core/Ni-shell structure. Surface Pd segregation occurred during H2 reduction and resulted in a surface composition close to the nominal value. The TPSR experiments were performed by pre-adsorption of CO with H2 to form methane. The peak temperature of methanation increased as Pd content increased, indicating that a methanation reaction is favored on Ni and Ni-rich alloy nanoparticles. For physical mixtures of Pd and Ni nanoparticles, methanation behaviors is similar to those of alloy nanoparticles; but the methanation temperatures of physical mixtures are always higher than those of alloy nanoparticles. This may be due to the formation of a Pd-enriched alloy surface layer during reduction in H2 at 400 °C, or because the CO molecules adsorbed on the Pd sites spill over onto the Ni sites for methanation. Using TPSR technique and measuring methanation temperature, the top-most surface of such bimetallic nanoparticles can be probed. 相似文献
140.
The electrospray droplet impact (EDI) was applied to bradykinin, polyethylene terephthalate (PET), SiO2/Si, and indium phosphide (InP). It was found that bradykinin deposited on the stainless steel substrate was ionized/desorbed without the accumulation of radiation products. The film thickness desorbed by a single collisional event was found to be less than 10 monolayers. In the EDI mass spectra for PET, several fragment ions were observed but the XPS spectra did not change with prolonged cluster irradiation. The etching rate for SiO2 by EDI was measured to be ∼0.2 nm/min. The surface roughness of InP etched by EDI was found to be one order of magnitude smaller than that etched by 3 keV Ar+ for about the same etching depths. EDI is capable of shallow surface etching with little damage left on the etched surface. 相似文献