The topography of nickel crystals during the reaction towards Ni(CO)4; A field ion microscope study

The structural aspect of the formation of Ni(CO)₄ by the reaction of CO with solid nickel has been studied. The nickel initial state was a nearly hemispherical single crystal as prepared by field evaporation of a nickel field emitter tip. Field-free reaction of CO with the clean nickel surface took place at pressures up to 2 mbar, reaction times up to 45 h, and at a temperature of 373 K, which as a result from work by others was found optimum for highest rates of Ni(CO)₄ formation. Neon field ion imaging at 80 K after reaction with CO showed the crystal always in an intermediate state, which had the features: (1) Areas of {;111} were increased; (2) at half angles between a central (111) and peripherical {111} planes there were {110} planes flanked by {210}, and {100} flanked by {511}, respectively; (3) with the exception of the planes mentioned in feature (2), the remaining surface area was more than mono-atomically stepped. From these results and in accordance with the theory of crystal growth (Kossel, Stranski) and the theory of crystal dissolution (Lacmann, Franke, Heimann) a pure octahedron is expected to be the final state of the crystal. This implies that nickel atoms removed by the reaction are most frequently taken from 〈110〉 atom chains of the {111} planes.     

Growth and stability of carbon islands on platinum surfaces

Details of the growth of C(graphite) islands and their stability on Pt surfaces were studied by FEM, UHV-SEM and very high resolution scanning AES. Initial nucleation of the C occurs on dislocations in the curved high index surface areas. Above 1150 K these randomly distributed islands dissolve and face specific layers are formed on {110} which can extend along the 〈100〉 zones all the way to the {100} planes. The sequence of stability of graphite layers on Pt is: {110} > all other {hk0} on the 〈100〉 zone except {100} > {100} followed closely by {111}. Concerning this layer stability, epitaxial mismatch plays a subservient role to the dipole interaction between metal substrate and graphite layer.     

A transient study of the co-adsorption and reaction of CO and oxygen on Ir(110)

The heterogeneously catalyzed reaction of CO and O₂ to form CO₂ over Ir(110) has been studied through measurements of the transient kinetics of the various elementary reactions that may limit the steady state rate. Rate expressions for these elementary reactions — the desorption of CO, the oxidation of CO via the Langmuir-Hinshelwood mechanism, the adsorption of CO and the adsorption of oxygen — were developed using thermal desorption mass spectrometry. Several phenomena were observed: (1) the activation energies for CO desorption and CO oxidation depend markedly upon the composition of the adlayer; (2) diffusion in the adlayer may limit the rates of CO desorption and CO oxidation; (3) the formation of a surface oxide modifies these four rate processes; and (4) chemisorbed CO blocks sites for oxygen adsorption, but chemisorbed oxygen does not block sites for CO adsorption.     

Thermal roughening of FEM-clean Pt{110} and its vicinal areas

After heat treatment at ∼1600 K and rapid quenching, thermal roughening through kink formation could be observed on “FEM-clean” Pt{110} and on all its vicinal areas (which are made up of {110} terraces). Noticeable exceptions were the areas between {771} and {331} (including {771}), which are located on the [1̄10] zone. These areas may remain topographically unchanged, or, more likely, may form {111}-microfacets during heat treatment. Upon annealing, the high-temperature roughness on {110} started to decrease at 830 K (formation of an 1 × 2 structure) and reached a minimum at 960 ± 25 K (≡ transition temperature, T_c). Thereafter, it increased precipitously until 1030 K was reached (surface roughening/deconstruction). Surface roughening could be suppressed readily by gas phase and/or bulk impurities (surface segregation). Vapour deposited Si, P, SiO, TiO₂, Al₂O₃ and C (graphite) prevented surface roughening on Pt{110}. All investigations were carried out by FEM.     

Entangled Projector and a New Approach for Obtaining the Entangled Wigner Operator

Like the coordinate projector |q〉〈q|=δ(q?Q), where Q is coordinate operator, we find that $\pi\delta( \eta_{1}-\frac{Q_{1}-Q_{2}}{\sqrt{2}}) \delta( \eta_{2}-\frac{P_{1}+P_{2}}{\sqrt{2}}) $ is an entangled projector |η〉〈η|, where |η〉 is the bipartite entangled state and η=η ₁+iη ₂. We then derive the entangled Wigner operator in terms of the properties of the entangled projector. This seems a new approach for obtaining the entangled Wigner operator.     

Lattice reorientation in the shear bands of {112}〈131〉 crystallites in an Fe-3%Si alloy

Subregions (0.1 μm) with the {110}〈113〉 orientation form in shear bands in grains with the {112}〈131〉 orientation in a deformed (? ≈ 50%) polycrystalline Fe-3%Si alloy sample. The relationship between the matrix and the subregions in the shear bands is described by a special misorientation close to Σ5. It is assumed that the subregions that have a {110}〈hhl〉 orientation and special misorientation Σ5 with the surrounding matrix and form in the shear bands of crystallites with orientations other than {111}〈112〉 can serve as anomalous growth nuclei during heat treatment because of a high density of special Σ5 boundaries.     

Highly active surfaces for CO oxidation on Rh, Pd, and Pt

Studies show that the rate of CO oxidation on Pt-group metals at temperatures between 450 and 600 K and pressures between 1 and 300 Torr increases markedly with an increase in the O₂/CO ratio above 0.5. The catalytic surfaces, formed at discrete O₂/CO ratios >0.5, exhibit rates 2-3 orders of magnitude greater than those rates observed for stoichiometric reaction conditions and similar reactant pressures or previously in ultrahigh vacuum studies at any reactant conditions and extrapolate to the collision limit of CO in the absence of mass transfer limitations. The O₂/CO ratios required to achieve these so-called “hyperactive” states (where the reaction probabilities of CO are thought to approach unity) for Rh, Pd, and Pt relate directly to the adsorption energies of oxygen, the heats of formation of the bulk oxides, and the metal particle sizes. Auger spectroscopy and X-ray photoemission spectroscopy reveal that the hyperactive surfaces consist of approximate 1 ML of surface oxygen. In situ polarization modulation reflectance absorption infrared spectroscopy measurements coupled with no detectable adsorbed CO. In contrast, under stoichiometric O₂/CO conditions and similar temperatures and pressures, Rh, Pd, and Pt are essentially saturated with chemisorbed CO and exhibit far less activity for CO oxidation.     

Remarks on the charged multiplicity of hadronic Z0(91) decays

The charged multiplicity distribution of hadronic decays of Z ⁰ from LEP and those of inclusive $e^{+}+e^{-}?ghtarrow h{?erline h} at E_{? cm}=14 {? to} 60 {? GeV}$ at E _cm = 14 to 61 GeV are analyzed using a Poisson-type distribution for photon statistics, due to Scully-Lamb. Its two parameters are expressed in terms of 〈n〉 and f ₂ = 〈n(n ? 1)〉 ? 〈n〉² of the data in order to perform no-free-parameter fits. It is found that f₂ behaves like $E_{? cm}^{a}$ with a = 2.01 ± 0.11, whereas C ₂ = 〈n ²〉/〈n〉² ～ E _cm with ΔC ₂/ΔE _cm = (1.81 ± 0.14)·10^?3.     

Role of sticking coefficients on kinetic phase transitions in catalytic reactions

The kinetic model for irreversible COO₂ surface reaction proposed by Ziff et al. is extended to include the variable sticking coefficients of carbon-monoxide (S_CO) and oxygen (S_O). For all values of S_O and S_CO a steady reactive state (SRS) is ob unless one of them is zero. The same is true for the NOCO reaction. These results are easily understood in terms of the adsorption rates of the reacting agents.     

γ-TiAl金属间化合物面缺陷能的分子动力学研究

运用分子动力学方法，对γ-TiAl金属间化合物的面缺陷能(层错能和孪晶能)进行了研究. 计算得到γ-TiAl不同滑移系(或孪生系)的整体堆垛层错能曲线，结果表明，γ-TiAl较一般fcc晶体结构的金属可动滑移系(孪生系)的数量减少，在外界条件下呈脆性. 研究孪生系(1/6)〈112〉{111}的弛豫的整体堆垛层错(GSF)能和整体孪晶(GTF)能曲线，对不稳定层错能γ_usf、稳定层错能γ_sf和不稳定孪晶能γ_usf值进行分析，可以预知， γ-TiAl的主要变形机理为孪生系(1/6)〈112〉{111}的孪生和普通滑移系(1/6)〈110〉{111}的滑移，以及超滑移系(1/2)〈011〉{111}的滑移. 关键词： γ-TiAl')" href="#">γ-TiAl 堆垛层错能 孪晶能 分子动力学     

The growth of crystals by the chemical transport of material I. A new method of preparing magnetite single crystals

The paper describes the preparation of single crystals of magnetite (Fe₃O₄) by transport over the gaseous phase, in a sealed quartz ampoule. Growth occurs at 800°C, i.e. about 750°C below the melting point of magnetite. The crystals obtained, which are octahedral in form, are up to 2 mm in size; as a rule they are bounded by straight, shiny surfaces. Apart from the most frequent surfaces of an octahedron {111} we also see {110}, {hkk} and {hhk} surfaces. The quality of the surface enables the domain structure to be studied by the colloid technique without any further treatment.     

Evaluating the electric property of different crystal faces and enhancing the Raman scattering of Cu2O microcrystal by depositing Ag on the surface

The surface electric property of Cu₂O microcrystal affects the interaction of facets with substance in the aqueous solution, and hence plays a key role in determining the photocatalytic activity. In this paper, the capability of Cu₂O microcrystals with exclusive {111}, {110} or both lattice surfaces in reducing Ag⁺ to Ag⁰ were investigated. Ag particles selectively deposited on {111} surfaces of Cu₂O, while not on {110} surfaces. The different behaviors of the two surfaces are mainly attributed to their different electric properties: negatively-charged {111} surfaces absorb Ag⁺ ions while positively-charged {110} surfaces repel them. Raman scattering of Cu₂O {111} surfaces was enhanced by the photo-deposition of Ag particles.     

Influence of low-temperature annealing on the microstructure of cryogenically deformed copper

The microstructure formation during annealing of cryogenically deformed copper was studied. It was shown that the primary recrystallization was completed already after a one-hour annealing at 150°C. It was found out that grains with the crystallographic orientation close to {112}〈111〉, {4; 4; 11}〈11; 11; 8〉, {110}〈122〉, and {130}〈132〉 had an advantage in the growth, which, apparently, was associated with a relatively low energy stored during the deformation.     

On the adsorption of oxygen on the Mo{110} surface and its vicinals

The adsorption of oxygen on a Mo{110} surface and four vicinal planes with steps parallel to 〈100〉, 〈110〉 and 〈111〉 directions, is studied by Auger electron spectroscopy (AES) and low energy electron diffraction (LEED). The work has the goal to elucidate whether O adsorption on Mo{110} is really as different from O adsorption on W{110} as reported, and what is the cause of the apparent discrepancies between the various reported sticking coefficients on stepped surfaces.     

Special misorientations in localized deformation regions in Fe-3%Si alloy single crystals

Extended regions located at an angle of 20° to the rolling plane are observed inside deformation bands in a (110)[001] Fe-3%Si alloy single crystal at a high strain (～60%). These regions were interpreted earlier as shear bands. The lattice orientation in these bands is close to (110)[001], and their habit plane is parallel to the {112} planes of the deformed {111}〈112〉 matrix. The misorientations between the bands and the matrix group around special misorientations Σ9, Σ19a, Σ27a, and Σ33a, which are characterized by close angles of rotation about axis 〈110〉. During primary recrystallization, the (110)[001] grains growing from the bands retain segments of the corresponding special boundaries with the deformed matrix.     

Surface free energy anisotropy measurement of indium

The equilibrium shape of In crystallites shows {111}, {001}; and {100} plane faces. The facets are connected by curved surfaces with smooth edges. The Wulff construction allows the surface free energy anisotropy to be measured in the main zones of the crystal, i.e. 〈001〉, 〈100〉, 〈110〉 and 〈011〉. The higher surface free energy is found in the 〈011〉 direction. Within the accuracy of the measurements the {001} and {100} faces show the same energy.     

The formation model of Ni-Cr oxides on NiCoCrAlY-sprayed coating

The atomic arrangement and distribution of oxides (Cr₂O₃, NiCr₂O₄ and NiO) on the sprayed-NiCoCrAlY coating after oxidation are analyzed. The formation and the growth model of Ni-Cr oxide phases are discussed according to the matching relationship between atoms. The outline character and a scale of spinel NiCr₂O₄ are discussed. The results show that Cr atoms can form two close-packed arrangements in the crystal plane of Cr₂O₃ perpendicular to 〈0 0 1〉 orientation. The atomic spacing in the first arrangement corresponds to double that of Ni/Ni₃Al in {1 1 1} crystal face. This suggests that Ni/Ni₃Al is the substrate for Cr₂O₃ to grow along 〈0 0 1〉 direction. The lattice mismatch between Cr₂O₃ and Ni/Ni₃Al is less than that of Al₂O₃, which indicates that Cr₂O₃ is easier to form than Al₂O₃ during the oxidation process. The atomic spacing in another close-packed arrangement of Cr₂O₃ perpendicular to 〈0 0 1〉 orientation is approximately equal to that of Ni or Cr in the plane of NiCr₂O₄ and NiO perpendicular to 〈1 1 1〉 orientation. So Cr₂O₃ can be the substrate for NiCr₂O₄ and NiO to grow in the 〈0 0 1〉 direction. NiCr₂O₄ and NiO can grow directly along the 〈1 1 1〉 orientation on each other. NiCr₂O₄ can grow outward in the planes of Cr₂O₃ perpendicular to 〈0 0 1〉 and grow inward along 〈1 1 1〉 orientation of NiO.     

Study of 2β-decay of 100Mo and 82Se using the NEMO3 detector

After analysis of 5797 h of data from the detector NEMO3, new limits on neutrinoless double beta decay of ¹⁰⁰Mo (T _1/2>3.1×10²³y, 90% CL) and ⁸²Se (_{T 1/2}>1.4×10²³y, 90% CL) have been obtained. The corresponding limits on the effective majorana neutrino mass are: 〈m _v〉<(0.8–1.2) eV and 〈m _v〉<(1.5–3.1) eV, respectively. Also the limits on double-beta decay with Majoron emission are: T _1/2>1.4×10²²y (90% CL) for ¹⁰⁰Mo and T _1/2>1.2×10²²y (90% CL) for ⁸²Se. Corresponding bounds on the Majoron-neutrino coupling constant are 〈 g _ee〉<(0.5–0.9)×10^?4 and <(0.7?1.6)×10^?4. Two-neutrino 2β-decay half-lives have been measured with a high accuracy, $T_{1/2}^{100_{Mo} } = [7.68 \pm 0.02(stat) \pm 0.54(syst)] \times 10^{18} y$ and $T_{1/2}^{82_{Se} } = [10.3 \pm 0.3(stat) \pm 0.7(syst)] \times 10^{19} y$ .     

Adsorption and desorption of no from Rh{111} and Rh{331} surfaces

The adsorption and desorption chemistry of NO on the clean Rh{111} and Rh{331} single crystal surfaces was followed with SIMS, XPS, and LEED. Results suggest dissociative NO adsorption occurs at step and/or defect sites. At saturation coverage there was ～ 10 times more dissociated species on the Rh{331} surface at 300 K than on the Rh{111} surface. On both surfaces two molecular states of NO_ads have been identified as β₁, and β₂ which possess different chemical reactivity. Under the condition of saturation coverage the β₁ and β₂ states are populated on the Rh{111} surface in a different proportion than on the Rh{331} surface. Further, their population on both surfaces is coverage and temperature dependent. When the sample is heated to desorb the saturation overlayer formed on the Rh{111} and Rh{331} crystal surfaces, approximately 50% of the overlayer is found to desorb below ? 400 K primarily from the β₂ state, molecularly as NO(g). Between 300 and 400 K the β₁ state dissociates as binding sites necessary to coordinate N_ads and O_ads are freed by desorption of NO(g).     

Interfacial structure of sub-micron Al2O3 particles in aluminum matrix

The surfaces of ellipsoidal Al₂O₃ particles with average size of 0.15 μm and the interfaces between the Al₂O₃ particles and 1070Al were investigated by transmission electron microscopy (TEM) and high resolution electron microscopy (HREM).The results show that the surfaces of Al₂O₃ particles appear to be polyhedrons consisting of crystal planes with small angle, while every plane of the polyhedrons could be considered as a stepped structure composed of close-packed planes along the close-packed direction. The interfaces of the 0.15 μm Al₂O₃p/1070Al composite bond well, without any interfacial reaction products. It is proposed that there are several kinds of crystallographic orientation relationships between the aluminum matrix and Al₂O₃particles due to the polyhedral structure. In our study, such orientation relationships are found to be {110} _Al ||{1100} _Al2O3 and ?110? _Al ||?1126? _Al2O3 .