The role of surface hydroxils of Al2O3·xH2O in the luminescence of adsorbed fluorescein molecules

Acta physica Academiae Scientiarum Hungaricae - Producing various surface hydroxil concentrations on Al2O3 films by surface reactions it was found that there is a distinct relation between the...     

Vibrational Analysis of the β System of 10B18O

Ten bands of the β system (B²Σ⁺ ? X²Σ⁺) of the ¹⁰B¹⁸O molecule have been observed for the first time. The spectrum was obtained by emission spectroscopy from a low‐pressure arc, at medium dispersion, and vibrationally analyzed using isotope shift measurements. Vibrational analysis gave the constants ω_e and ω_ex_e for both electronic states involved in the transitions.     

Infrared absorption of O−H in thin films of hydrogenated Bi2Sr2CaCu2O8

Thin films of hydrogenated Bi₂Sr₂CaCu₂O₈ show three O–H vibrational absorption bands that shift upon deuteration with frequency ratiosv _O-H/v _O-D1.3, as expected for local modes. The band positions indicate that hydrogen atoms may be located at two different sites, namely in CuO₂ layers and, for the most part, in BiO double layers. The temperature dependences of these absorption bands give no hint of any direct interactions between the O–H vibrational modes and the superconducting phase transition.     

Ground State Property of LiV2O4

The spinel structure LiV2O4 is studied by local density approximation （LDA） as well as including strong correlation correction potential, i.e. the LDA＋U scheme, which concerns the strongly correlated interaction. With LDA, the orbitals of V 3d and O 2p are well separated so that it presents purely metallic heavv fermion behaviour. The total energy of ferromagnetic phase is slightly lower than that of paramagnetic phase within the LDA ap- proach. This implies that the ferromagnetic instability as a consequence of spin frustrated magnetism can be observed in experiments. The strong correlation interaction by using LDA＋U enhances the exchange splitting. The heavy-fermion feature can be derived from the sharp peak around the Fermi level from the density of states.     

Photoluminescence Property of Co3O4 Nanowires

Co3O4 nanowire arrays are fabricated by electrodeposition with following heat-treatment in atmosphere ambient. Photoluminescence is investigated at 295K. In the experiment, when increasing the excitation light wavelength from 260 nm to 360 nm, two kinds of emissions corresponding to the increasing excitation light wavelength are observed. One of them alters the excited emission position, another keeps its emission position. The distinct behaviour of excited emissions related to the increasing excitation wavelength indicates that the mechanism of them must be different. According to the experimental comparison and first-principle calculation, the two kinds of emissions are discussed.     

Ab Initio Calculations of Elastic Constants of Li2O under Pressure

We investigate the equilibrium lattice constant, bulk modulus, elastic constants and Debye temperature of Li2O under pressure by using ab initio unrestricted Hartree-Fock （HF） linear combination of atomic orbital （LCAO） periodic approach. The obtained results at zero pressure are well consistent with the available experimental data and other theoretical results, It is found that the elastic constants C11, C12 and C44 and bulk modulus B increase monotonously as pressure increases. Also, the anisotropy will weaken and the Debye temperature will rise with pressure increasing.     

Scattering of O? from a graphite surface

Recently an extensive series of measurements has been presented for the angular distributions of oxygen molecules scattered from a graphite surface. Incident translational energies ranged from 291 to 614 meV with surface temperatures from 150 to 500 K. The measurements were taken with a fixed angle of 90° between the source beam and the detector and the angular distributions consisted of a single broad peak with the most probable intensity located at an angle slightly larger than the 45° specular position. Analysis with the hard cubes model for atom-surface scattering indicated that the scattering is primarily a single collision event with a surface having a collective effective mass much larger than a single carbon atom. Limited analysis with a classical diatomic molecular scattering theory was also presented. In this paper a more complete analysis using the classical diatomic molecular scattering theory is presented. The energy and temperature dependence of the observed angular distributions are well described as single collision events with a surface having an effective mass of 1.8 carbon graphite rings. In agreement with the earlier analysis and with other experiments, this suggests a large cooperative response of the carbon atoms in the outermost graphene layer.     

Control of Crystallization Kinetics and Study of the Thermal, Structural and Morphological Properties of an Li2O–B2O3–Al2O3 Vitreous System

A glass matrix with nominal composition 50Li₂O·45B₂O₃·5Al₂O₃ (mol%) was synthesized, and its physical properties were investigated by differential thermal analysis (DTA), X-ray diffraction (XRD), and atomic force microscopy (AFM). The glass transition temperature T _g, the crystallization-onset temperature T _x,, the crystallization peak temperatures T _c1 and T _c2, and the fusion peak temperatures T _m1 and T _m2 were determined from at least two glass matrix phases to be approximately 382, 457, 486, 574, 761, and 787?°C, respectively, at 5?°C/min heating rate. Heat treatments at 450?°C for an increasing sequence of time intervals allowed control over the amount of crystallization. Additional information on the crystallization kinetics for the LBA glass matrix was gathered from AFM images, DTA thermograms, and XRD diffractograms. The latter technique showed that LiBO₂ (ICDD-16568) and Li₃AlB₂O₆ (ICDD-51754) phases are formed in the glass?Cceramic system. Debye?CScherrer analysis of the XRD peaks revealed a competition between the evolutions of crystal phases during heat treatment. Activation energies for crystallization, obtained from theoretical models applied to the DTA data showed that the crystallization is heterogeneous. The AFM images demonstrated that this heterogeneous crystallization starts at the surface of the LBA glass matrix and identified crystal sizes in agreement with the results of the Debye?CScherrer analysis. Our study shows that thermal and structural characterization techniques can be combined with theoretical results drawn from well-tested models to offer a unified view of crystallization in a glass?Cceramics system.     

Quasi-classical trajectory study of collision energy effect on the stereodynamics of H + Br O → O + HBr reaction

Quasi-classical trajectory(QCT) studies on the stereodynamics of H + Br O → O + HBr reaction have been performed on the X1A′state of ab initio potential energy surface by Peterson [Peterson K A 2000 J. Chem. Phys. 113 4598] in a collision energy range from 0 kcal/mol to 6 kcal/mol. Two of the polarization-dependent generalized differential cross sections(PDDCSs),(2π /σ)( dσ00/ dωt)(PDDCS00) and(2π /σ)( dσ20/ dωt)(PDDCS20) are considered. The rotational polarizations of these products show sensitive behaviors to the calculated collision energy range. Furthermore, in order to gain more knowledge about vector correlations, the product angular distribution, P(θr), and the dihedral angle, P(φr),are calculated, and the results indicate that both the rotational alignment and orientation of the product are enhanced as collision energy increases.     

Mechanism of solid-state oxidation of FeSO4·H2O: model of simultaneous reactions

The mechanism of the thermal transformation of FeSO₄·H₂O in air has been studied under isothermal conditions at temperatures (150–460)°C using mainly⁵⁷Fe Mössbauer spectroscopy and X-ray powder diffraction (XRD). Two trends are typical for the thermal behaviour of FeSO₄·H₂O in air, a tendency toward oxidation and dehydration. We suggested a new transformation model consisting of two ways of oxidation, direct one and indirect one. Fe(OH)SO₄ was identified as a product of the direct way, Fe₂(SO₄)₃ and superparamagnetic nanoparticles ofγ-Fe₂O₃ as products of the indirect way. The suggested model of simultaneous reactions explains the unusual non-monotonous dependence of the oxidation level of the thermally treated samples on temperature.     

Cluster Folding and Coupled-Channels Analysis of 16O + 16O Elastic and Inelastic Scattering

The data of elastic and inelastic ¹⁶O?+?¹⁶O scattering to the lowest 0⁺, 2⁺, and 3^? excitation channels of ¹⁶O in the energy range of 250–1,120 MeV is reanalyzed using the derived double folding cluster (DFC1) potential in the framework of the coupled-channels (CC) mechanism. The potential provides a very good agreement with the experimental data for the elastic and inelastic scattering angular distribution. Furthermore, the deduced deformation length and quadrupole and octupole deformation parameter are quite consistent with the corresponding electromagnetic measurements.     

Synthesis and application of the uniform particle size of nano-γ-Fe2O3: dispersed nanoparticles of γ-Fe2O3 for green synthesis of aminophosphonates

China started nanotechnology research from 1990s, and has paid much attention to nanoeducation since then. Scientific discoveries from nanoresearch have been introduced timely into high school textbooks, and more specific courses such as Nanomaterials and Nanofabrication are being taught at both college and graduate levels. In this paper, nanotechnology courses at the Graduate University of Chinese Academy of Sciences, Beijing University, and Tsinghua University are chosen to be overviewed, which could be a good indicator of Chinese nanoeducation because of high-quality science and engineering education in these schools. Research institutes also contribute in popularizing nanoscience knowledge through activities such as public open days. These combined efforts substantially promote the public acceptance and understanding of nanoscience and technology in China.     

Effect of O–O bonds on p-type conductivity in Ag-doped ZnO twin grain boundaries

Based on density functional theory, first-principles calculation is applied to study the electronic properties of undoped and Ag-doped Zn O-Σ7(12ˉ30) twin grain boundaries(GBs). The calculated result indicates that the twin GBs can facilitate the formation and aggregation of Ag substitution at Zn sites(AgZn) due to the strain release. Meanwhile, some twin GBs can also lower the ionization energy of AgZn. The density of state shows that the O–O bonds in GBs play a key role in the formation of a shallow acceptor energy level. When AgZnbonds with one O atom in the O–O bond, the antibonding state of the O–O bond becomes partially occupied. As a result, a weak spin splitting occurs in the antibonding state, which causes a shallow empty energy level above the valence band maximum. Further, the model can be applied to explain the origin of p-type conductivity in Ag-doped Zn O.     

Linear optical properties of γ-modification of bismuth borate BiB3O6

The refractive index dispersion of the ??-BiB₃O₆ crystal in the wavelength range 0.43?C0.81 ??m has been measured. It has been shown that the principal refractive indices n ₁, n ₂, and n ₃ are on average higher than those of ??-BiB₃O₆, but are slightly lower than those of ??-BiB₃O₆. The temperature dependences of the rotation angle ??(T) of the optical indicatrix and birefringence ??n ₂(T) = (n ₁ ? n ₃)(T) have been studied in the temperature range 100?C963 K. It has been shown that the ??-BiB₃O₆ crystal is stable in this temperature region.     

Fragmentation of ^16O nuclei in nuclear emulsion

We present the topology of 16O fragmentation at 60A GeV in reactions with emulsion nuclei.We discuss the multiplicity distributions of projectile fragments.charged secondaries and their dependence on the target residues.     

Nature of the anomalies of the thermolumenescence properties of dosimetric α-Al2O3 crystals

The results of investigations into the anomalies of the thermoluminescence properties of dosimetric corundum crystals are presented. The decisive role of deep-lying traps in the quenching of luminescence in anion-defect Al₂O₃ monocrystals is shown. The existence of deep-lying traps is demonstrated by the method of direct observations of thermoluminescence (TL) peaks associated with them. Experimental evidence for the influence of the degree of occupation of deep-lying traps on the main features of the TL dosimetric peak at 450 K is given. The results obtained are interpreted for a model of the interactive system of traps, which differs radically from the models described in the literature by a consideration of the temperature dependence of the probability of trapping of charge carriers on deep-lying traps. We believe that the heat quenching of luminescence is due to the thermal ionization of excited F-center states. Ural State Technical University. Translated from Izvestiya Vysshikh Uchebhykh Zavedenii, Fizika, No. 3, pp. 55–65, March, 2000.     

Alpha Cluster Structure of Hypernuclei and Λ-Seperate Energy of Λ17O

By using the alpha cluster structure model of hypernuclei and the phenomenological interaction potential between Λ hyperon and α-particle, the Λ seperate energy of the hypernucleus 13ΛC is calculated. A good agreement with the experimental data is achieved. Based on this the Λ-seperate energy of the hypernucleus 17ΛO is predicted. It is consistent with the empirical value of 17ΛO and advantages over the existing theoretical calculation made up-to-date.     

FT-IR Study of the Adsorption of Propane and Propene on V2O5/γ-Al2O3 Catalyst

It has been observed on the oxidized V₂O₅/γ-Al₂O₃ that C₃H₆ form alkoxides which were converted to acetone during the desorption of adsorbate phase at 373 K. C₃H₈ may form π-complexes on the reduced form of the same catalyst. However, the intensities of the bands in the ad-adsorption of C₃H₈ were very weak as compared with the case of C₃H₈ adsorption. Therefore, it was not reasonable to assign these bands clearly as any of the surface type species.