Effects of potassium on the adsorption of methanol on β-Mo2C(001) surface

We have studied the effect of K on the adsorption of methanol on the β-Mo₂C(001) surface and compared our experimental data with theoretical calculations. We have also performed high resolution electron energy loss spectroscopy (HREELS) (LK, ELS3000). For calculations we used the density functional theory under the VASP implementation. The most favorable sites for methanol adsorption are on top of a Mo atom in the clean surface and on top of a K atom in the pre-dosed surface. The changes in the work function fit our model as the surface withdraws charge from the adsorbate. The changes in the computed vibrational frequencies also agree with the HREELS results at very low coverage. The C–O bond distance increases while the O–H bond decreases making a C–O bond breakage a possibility on K covered surfaces.     

Surface structure of β-FeSi2(101) epitaxially grown on Si(111)

The surface morphology and structure of -FeSi₂(101) films epitaxially grown on Si(111) has been studied by means of Scanning Tunneling Microscopy (STM). The films are formed by large crystallites which are single domain. Each crystallite has only one of the three possible azimuthal orientations with respect to the substrate. A large density of planar defects, however, is detected on top of each crystallite. They are assigned to intrinsic stacking faults and their existence seems hard to avoid. This high density of intrinsic defects casts serious doubts on the use of -FeSi₂ as an optoelectronic material.     

Influence of γ-irradiation on the optical and electrical properties of Se(0.85) Te(0.15) films

Abstract

Se_(0.85) Te_(0.15) films were prepared by thermal evaporation under vacuum on glass substrate. The optical and electrical properties of as deposited and irradiated Se_(0.85) Te_(0.15) films with different γ-doses are reported.

The optical constants (absorption coefficient (α), extinction coefficient (k), refractive index (n) and dielectric constants (?, ?) of unirradiated and irradiated films were calculated. The value of allowed direct optical energy gap of Se_(0.85) Te_(0.15) films increased from 1.47 eV. to 1.72 eV. with increasing the γ-doses to 2.5 Mrad. The irradiated films have lower resistivity than those as deposited films (unirradiated). The activation energy (ΔE) increases from 0.72 eV. to 0.86 eV. with increasing γ-doses to 2.5 Mrad.     

Comparative study of adsorption characteristics of Cs on the GaN(0001) and GaN(000) surfaces

The adsorption characteristics of Cs on GaN(0001) and GaN(000) surfaces with a coverage from 1/4 to 1 monolayer have been investigated using the density functional theory with a plane-wave ultrasoft pseudopotential method based on first-principles calculations.The results show that the most stable position of the Cs adatom on the GaN(0001) surface is at the N-bridge site for 1/4 monolayer coverage.As the coverage of Cs atoms at the N-bridge site is increased,the adsorption energy reduces.As the Cs atoms achieve saturation,the adsorption is no longer stable when the coverage is 3/4 monolayer.The work function achieves its minimum value when the Cs adatom coverage is 2/4 monolayer,and then rises with Cs atomic coverage.The most stable position of Cs adatoms on the GaN(000) surface is at H3 site for 1/4 monolayer coverage.As the Cs atomic coverage at H3 site is increased,the adsorption energy reduces,and the adsorption is still stable when the Cs adatom coverage is 1 monolayer.The work function reduces persistently,and does not rise with the increase of Cs coverage.     

Mssbauer studies on the shape effect of Fe_(84.94)Si_(9.68)Al_(5.38) particles on their microwave permeability

Ball milling for long time (such as 10, 20, and 30 h) can transform Fe 84.94 Si 9.68 Al 5.38 alloy powders with irregular shapes into flakes. X-ray diffraction (XRD) and Mssbauer measurements have proven that the unmilled particles and the flakes obtained by milling for 10 h have the same D0 3 -type superlattice structure. The flakes obtained by milling for 20 h and 30 h have the same disorder α-Fe(Si, Al) structure. There are more than 6 absorption peaks in the transmission Mssbauer spectra (TMSs) for the particles with D0 3 -type superlattice structure, which can be fitted with 5 sextets representing 5 different Fe-site environments. However, only 6 TMS absorption peaks have been found for particles with a disorder α-Fe(Si, Al) structure, which can be fitted with the distributions of Mssbauer parameters (Bhf, isomer shift). The TMS results show that the flaky particles have a stronger tendency to possess the planar magnetic anisotropy. As the result, the flakes have larger microwave permeability values than particles with irregular shapes. The conversion electron Mssbauer spectra (CEMSs) also show the significantly different Fe-sites environments between the alloy surface and the inside.     

Study on Production of Exotic 0 Meson D*sJ(2317) in Decays of ψ(4415)

The newly observed D*sJ family containing D*sJ(2317), DsJ(2460), and DsJ(2632) attracts great interests.Determining their structures may be an important task for both theorists and experimentalists. In this work we use a non-relativistic model (the harmonic oscillator model) to evaluate the production rate of D*sJ (2317) from the decays of ψ(4415). For a comparison, we also employ the widely adopted heavy quark effective theory to repeat the calculation.We find that the rate is sizable and may be observed at BES Ⅲ and CLEO, if it is a p-wave excited state of Ds (1968).Unfortunately, the other two members of the family cannot be observed through decays of charmonia, because of the constraints from the final state phase space.     

The influence of nitridation time on the structural properties of GaN grown on Si (111) substrate

In the present paper, the effect of in-situ substrate nitridation time on crystalline quality of GaN films grown on Si (111) substrates by metal organic chemical vapor deposition (MOCVD) were investigated. A thin buffer layer of silicon nitride (SiN _x ) with various thicknesses was achieved through the nitridation of substrate at different nitiridation times ranging from 0 to 660 s. The structural characteristics, such as dislocation densities, correlation lengths of columnar crystallites, the tilt and twist of the mosaic structure, and the angles of rotational disorder, were all studied in detail by using a planar and cross-sectional view of high resolution transmission electron microscopy (HRTEM) and X-ray diffraction (HRXRD) performed at different scattering geometries. It was found that the dislocation densities, lateral coherence lengths, vertical coherence lengths, and the tilt and twist of mosaic blocks in GaN films monotonically varies with the nitridation time. The experimental findings showed that the nitridation times had more influence on edge dislocation densities than the screw type.     

The effect of sulfur on co adsorption/desorption on Pt(S)-[9(111) × (100)]

CO adsorption/desorption on clean and sulfur covered Pt(S)-[9(111) × (100)] surfaces was studied using AES, TPD, and modulated beam experiments. CO desorption occurred from two states on the clean surface — a low temperature state associated with the (111) terraces and a high temperature state associated with the steps/defects. Thermal desorption results indicated that above small CO coverages conversion from the low temperature state into the high temperature state was activated and that back conversion was slow. Sulfur preferentially adsorbed at step/defect sites and decreased the population of the high temperature desorption state. Modulated beam experiments were performed in order to determine CO adsorption/desorption parameters as a function of sulfur coverage on the Pt crystal. The sticking coefficient and binding energy of CO decreased as the sulfur concentration increased. Sulfur adsorption at step/defect sites decreased the CO sticking coefficient only slightly but increased the effective rate constant for CO desorption significantly. Sulfur adsorption on the terraces affected CO adosrption more than sulfur at step sites. On the clean surface the effective rate constant for CO desorption was

$\text{1 × 10}{}^{15}\text{s}{}^{\mathrm{?1}}\text{exp (}\text{?36.2 kcal/mole}\text{RT}\text{)}$

Desorption occurred from both terrace and step/defect sites, but the kinetics were characteristic of the step/defect sites. For the surface on which step/defect sites were blocked by sulfur the effective desorption rate constant was

$\text{k}{}_{\mathrm{eff}}\text{= 1 × 10}{}^{13}\text{s}{}^{\mathrm{?1}}\text{exp (?}\text{27.5 kcal/mole}\text{RT}\text{)}$

indicating an appreciable decrease in CO binding on the terraces, though sulfur-CO repulsive interactions had probably made k_eff larger than the true rate constant for desorption from clean (111) planes. The results showed clearly a compensation effect in activation energy and preexponential factor.     

STM study of Pd growth on TiO2(100)-(1 × 3)

STM has been used to study the initial growth of palladium on TiO₂(100)-(1 × 3). The results demonstrate that STM is capable of imaging individual atoms which form part of a supported metal cluster. The data were obtained from small (35Ådiameter by 8Åhigh) clusters at a dispersed-equivalent coverage of about 0.01 ML. At higher coverages the clusters coalesce.     

Viscosity and Temperature Effects on the Rate of Oxygen Quenching of Tris-(2,2′-bipyridine)ruthenium(II)

We compare the bimolecular quenching rate constant (k₂) of luminescent tris(2,2′-bipyridine)ruthenium(II) by oxygen in water, ethylene glycol and glycerol as a function of temperature and viscosity to several theoretical models. The Smoluchowski equation with experimentally determined diffusion coefficients produced calculated values that were in the best agreement with experiment. For the less viscous solvent, water, this equation produced a value that was approximately an order of magnitude larger than the experimental value. With an increase in solvent viscosity, the Smoluchowski value approached the experimental value. Using the Smoluchowski equation with calculated diffusion coefficients based on the known radii of the reacting species produced deviations an order of magnitude larger in water and a factor of two or three lower in ethylene glycol and glycerol. If an assumption is made that the radii of both molecules are equal, we have the Stokes Einstein equation, and the only parameters become temperature and viscosity. Using this relationship, the calculated values for water are about a factor of two larger and with ethylene glycol and glycerol about a factor of 6 smaller than experimental data. These results show that bimolecular quenching is a more complex process affected by many parameters such as solvent cage effects in addition to viscosity and temperature.     

Theoretical simulation of STM image of C60 molecules on Si(100)-(2 × 1) surface

Theoretical simulation of STM image of C₆₀ molecules on Si(100)-(2 × 1) surface was performed by the DV-Xα-LCAO method. The results excellently reproduced the internal stripe pattern of the STM image of C₆₀ observed by experiment. We confirm that it is the interaction between C₆₀ and the Si substrate which causes this internal structure.     

Adsorption and organisation of para-hexaphenyl molecules on Si(100)

Para-hexaphenyl molecules (p-6P: C₃₆H₂₆) can be grown as nanofibres on various surfaces having optical properties of technological relevance. We report here the first observations of the initial stages of adsorption of individual p-6P molecules on Si(100)-(2×1) using room temperature Scanning Tunnelling Microscopy (STM). Depending on the substrate temperature, the hexaphenyl molecules adsorb in two configurations; indicating both weak and strong chemisorption. All six phenyl rings are clearly visible and the molecules are found to adsorb with characteristic angles between the long axis of the molecule and the silicon dimer rows. A statistical analysis of the spatial distribution of the molecules suggests that the clustering required for crystallographic nanofibre growth does not occur at the atomic scale under the experimental conditions used here.     

Adsorption of Perylene on Si(111)(7×7)

We investigate the adsorption of organic molecular semiconductor perylene on(7 × 7) reconstructed Si(111)surface by ultraviolet photoemission spectroscopy.It is observed that seven features that derive from the organic material are located at 0.71,2.24,4.0,5.9,7.46,8.65 and 9.95 eV in binding energy.The theoretical calculation results reveal the most stable adsorption geometry of organic molecule perylene on Si(111)(7 × 7) substrates is at the beginning of deposition.     

Growth of CuO chains on Ag(110) surfaces

The (AgO) chains grown along the 〈001〉 direction on Ag(110) disappeared by the reaction with Cu atoms at room temperature, and new one-dimensional chains grew in the 〈110〉 direction. The STM images at different bias potentials suggest the growth of (CuO) chains in the 〈110〉 direction on the Ag(110) surface. The (CuO) chains on the Ag(110) surface disappeared by heating to 470 K, but they reappeared by exposing to O₂ at room temperature.     

Direct measurement of the growth mode of graphene on SiC(0001) and SiC(0001¯)

We have determined the growth mode of graphene on SiC(0001) and SiC(0001ˉ) using ultrathin, isotopically labeled Si(13)C "marker layers" grown epitaxially on the Si(12)C surfaces. Few-layer graphene overlayers were formed via thermal decomposition at elevated temperature. For both surface terminations (Si face and C face), we find that the (13)C is located mainly in the outermost graphene layers, indicating that, during decomposition, new graphene layers form underneath existing ones.     

Poincaré Polynomial of Moduli Spaces of Framed Sheaves on (Stacky) Hirzebruch Surfaces

We perform a study of the moduli space of framed torsion-free sheaves on Hirzebruch surfaces by using localization techniques. We discuss some general properties of this moduli space by studying it in the framework of Huybrechts-Lehn theory of framed modules. We classify the fixed points under a toric action on the moduli space, and use this to compute the Poincaré polynomial of the latter. This will imply that the moduli spaces we are considering are irreducible. We also consider fractional first Chern classes, which means that we are extending our computation to a stacky deformation of a Hirzebruch surface. From the physical viewpoint, our results provide the mathematical framework for the counting of D4-D2-D0 branes bound states on total spaces of the bundles O_{\mathbb P¹}(-p){\mathcal {O}_{\mathbb {P}^1}(-p)} .