Quantum corrections for lattice gases

Classical lattice gases consisting of structureless particles (with spin) have been quantized by introducing a kinetic energy operator that produces nearest-neighbor hops. Systematic quantum corrections for the partition function and the particle distribution functions appear naturally as power series inX = ²/2ml ² ( ^–1 =k _B T,m is the mass,l is a distance related to lattice spacing). These corrections require knowledge of certain particle displacement probabilities in the corresponding classical lattice gases. Leading-order corrections have been derived in forms that should facilitate their use in computer simulation studies of lattice gases by the standard Monte Carlo method.     

Utilization of Derivatograph for Study of Synthesis of New Inorganic Pigments

In our laboratory, the synthesis of new inorganic pigments is followed by thermal analysis using a Derivatograph apparatus. The first information about the temperature region of the formation of the pigments investigated is provided by thermal analysis. The main attention is directed to the preparation of high-temperature colour pigments, lightfastness colour pigments, anticorrosive pigments, new ecological inorganic pigments and luminescent pigments. All inorganic pigments are useful for colouring of ceramic glazes, enamels, plastics, paints, cements and other building systems. The synthesis of all these pigments is based on temperature calcination of starting materials. Tens of new inorganic pigments have been prepared thanks to methods of thermal analysis. These synthesis are described in more than 100 Czech patents. This revised version was published online in July 2006 with corrections to the Cover Date.     

Isomer-Selective Generation and Spectroscopic Characterization of Picolyl Radicals

Nitrogen-containing resonance-stabilized radicals such as the picolyl radical are important in combustion chemistry and astrochemistry. They have only been scarcely studied because an isomer-selective generation is often difficult. Herein, we present threshold photoelectron spectra of the three picolyl radical isomers, C₆H₆N, that were obtained with synchrotron radiation. The radicals were selectively generated by flash pyrolysis from aminomethylpyridine precursors through deamination. Ionization energies of 7.70, 7.59, and 8.01 eV were determined for 2-, 3-, and 4-picolyl, respectively. The observed vibrational structure was assigned to an in-plane deformation mode of the aromatic ring. The spectroscopic insight gained in this study can be used to distinguish different picolyl isomers in on-line combustion analysis, for example.     

SrB_4O_7∶Eu磷光粉的制备及其发光性能

采用高温固相法合成了SrB4O7∶Eu荧光粉,并研究了不同原料、掺杂浓度、煅烧温度等因素对其发光性能的影响。发射光谱测试结果表明:SrB4O7∶Eu荧光粉的最佳Eu掺杂浓度为2%左右,进一步增大掺杂浓度会导致浓度猝灭。煅烧温度对基质组成影响较大,随着温度的升高,基质中BO4四面体所占比例增大,有利于Eu3+离子的还原。以水合硼酸锶为原料制得样品的发光强度高于以SrCO3和H3BO3为原料制得样品的发光强度。     

Simple Synthesis of Fluorinated Graphene: Thermal Exfoliation of Fluorographite

Fluorinated graphene can be prepared directly by thermal exfoliation of fluorographite. The exfoliation was performed in a dynamic nitrogen atmosphere at various temperatures and the exfoliation products were analysed in detail by GC‐MS. The structure and properties of all prepared fluorinated graphenes with various contents of fluorine were characterized by a number of analytical techniques. The results show both the dependence of fluorine concentration on exfoliation temperature and the suitability of this method for the synthesis of graphene with controlled concentration of fluorine. The high‐temperature exfoliated fluorographite exhibits a high heterogeneous electron transfer rate and excellent catalytic properties towards the oxygen reduction reaction. These synthetic procedures can open a simple way for the synthesis of fluorinated graphene‐based devices with tailored properties.     

Synthesis and Luminescence Properties of Amber Emitting La7Sr[Si10N19O3] : Eu2+ and Syntheses of the Substitutional Variants RE8-xAEx[Si10N20-xO2+x] : Eu2+ with RE=La,Ce; AE=Ca,Sr, Ba; 0≤x≤2

The oxonitridosilicate La₇Sr[Si₁₀N₁₉O₃] : Eu²⁺ and its substitutional variants RE_8-xAE_x[Si₁₀N_20-xO_2+x] : Eu²⁺ with RE=La, Ce; AE=Ca, Sr, Ba and 0≤x≤2 were synthesized starting from REN, SrN/Ca₃N₂/Ba₂N, SiO₂, amorphous Si₃N₄ and Eu₂O₃ as doping agent at 1600 °C in a radiofrequency furnace. The crystal structure of La₇Sr[Si₁₀N₁₉O₃] was solved and refined based on single-crystal X-ray diffraction data. La₇Sr[Si₁₀N₁₉O₃] crystallizes in the orthorhombic space group Pmn2₁ (no. 31). The crystal structures of the isotypic compounds RE_8-xAE_x[Si₁₀N_20-xO_2+x] were confirmed by Rietveld refinements based on powder X-ray diffraction data using the single-crystal data of La₇Sr[Si₁₀N₁₉O₃] as starting point. Crystal structure elucidation reveals a 3D network of vertex sharing SiN₄ and SiN₂(N_1/2-x/4O_1/2+x/4)₂ (0≤x≤2) tetrahedra. When excited with UV to blue light, La₇Sr[Si₁₀N₁₉O₃] : Eu²⁺ shows amber luminescence with λ_em=612 nm and fwhm=84 nm/2194 cm⁻¹, which makes it interesting for application in amber phosphor-converted light emitting diodes.     

Thermomechanical Behavior of Electrically Conducting Solids Exposed to an External Electromagnetic Field

This paper describes a procedure for the mathematical and numerical modeling of the thermomechanical behavior of electrically conducting solid bodies exposed to an external electromagnetic field. The constitutive equations for the electromagnetic field are the Maxwell equations written for the region of the solid body and the ambient medium. The stress-strain state of the solid is described using the relations for nonisothermal elastoplastic flow. The effects of the electromagnetic field on the heat-transfer and deformation processes are taken into account via heat release and ponderomotive forces, respectively. The relations between the electric and magnetic inductions and the corresponding field strengths are considered nonlinear. All physicomechanical parameters of the body material are temperature dependent.__________Translated from Prikladnaya Mekhanika i Tekhnicheskaya Fizika, Vol. 46, No. 5, pp. 14–26, September–October, 2005.     

Structural investigation in the TiB2-(Na2O·B2O3·Al2O3) system

Composites in the TiB₂-Na₂O·B₂O₃·Al₂O₃ systems, TiB₂-MBA (MB stands for sodium metaborate and A is Al₂O₃), were prepared by self-propagating high-temperature synthesis (SHS), in simultaneous mode. Selection of these compositions was ruled by the interesting properties of both TiB₂ and double borates of alkali metal and aluminum. The structure of the obtained materials was evaluated by micro-Raman spectroscopy, from room temperature up to 600 °C, and X-ray photoelectron spectroscopy (XPS). Formation of the TiB₂ and TiO_2−xB_x phases along with TiO₂ as rutile were identified as titanium speciation in the grain phase embedded in a sodium aluminum borate matrix. Integration of the Raman spectra of the grain phases revealed a TiB₂ content of 16.99% and 23.32% for the two composite investigated 2TiB₂·2MBA and 3TiB₂·5MBA. A constrained-width model for the spectral deconvolution of the high-frequency Raman band was forwarded to calculate the proportion of tetrahedral boron atoms (7.424%) in the blank borate matrix Na₂B₂O₄·Al₂O₃ in solid phase.     

The Reaction Mechanism and Kinetics of the Zn2.5VMoO8 Phase Synthesis in the Solid State

Studies on the reaction kinetics and mechanism of the synthesis of the Zn_2.5VMoO₈ compound in the solid state have been carried out in situ in a high-temperature X-ray diffraction attachment. The apparent activation energy, 212±26 kJ mol^-1 was calculated by using the diffusion controlled Ginstling-Brounstein model. There was also determined a temperature dependence of unit cell parameters for Zn₃V₂O₈ and Zn_2.5VMoO₈. This revised version was published online in July 2006 with corrections to the Cover Date.