A model for the stabilization of atomic hydrogen centers in borate glasses

A previously proposed model describing the trapping site of the interstitial atomic hydrogen in borate glasses is analyzed. In this model the atomic hydrogen is stabilized at the centers of oxygen polygons belonging to B–O ring structures in the glass network by van der Waals forces. The previously reported atomic hydrogen isothermal decay experimental data are discussed in the light of this microscopic model. A coupled differential equation system of the observed decay kinetics was solved numerically using the Runge Kutta method. The experimental untrapping activation energy of 0.7×10⁻¹⁹ J is in good agreement with the calculated results of dispersion interaction between the stabilized atomic hydrogen and the neighboring oxygen atoms at the vertices of hexagonal ring structures.     

基于代数滑移模型的光催化反应器内催化剂颗粒分布特性研究

针对光催化制氢反应器内液固两相流的特点,运用代数滑移模型,对反应器内的催化剂颗粒-水两相流动进行了数值模拟。采用分块的结构化网格,并运用多重网格方法进行求解。通过与前人实验中压力梯度结果的比较,对模型进行了验证,并最终得到了反应器内催化剂颗粒的典型分布及相应的类型图。     

Readily Accessible and Predictable Naphthalene‐Based Two‐Photon Fluorophore with Full Visible‐Color Coverage

Herein we report 22 acedan‐derived, two‐photon fluorophores with synthetic feasibility and full coverage of visible wavelength emission. The emission wavelengths were predicted by computational analysis, which enabled us to visualize multicolor images by two‐photon excitation with single wavelength, and to design a turn‐on, two‐photon fluorescence sensor for endogenous H₂O₂ in Raw 264.7 macrophage and rat brain hippocampus ex vivo.     

Is it True That the Normal Valence‐Length Correlation Is Irrelevant for Metal–Metal Bonds?

The most intriguing feature of metal–metal bonds in inorganic compounds is an apparent lack of correlation between the bond order and the bond length. In this study, we combine a variety of literature data obtained by quantum chemistry and our results based on the empirical bond valence model (BVM), to confirm for the first time the existence of a normal exponential correlation between the effective bond order (EBO) and the length of the metal–metal bonds. The difference between the EBO and the formal bond order is attributed to steric conflict between the (TM)_n cluster (TM=transition metal) and its environment. This conflict, affected mainly by structural type, should cause high lattice strains, but electron redistribution around TM atoms, evident from the BVM calculations, results in a full or partial strain relaxation.     

Synthesis of Structurally Varied 1,3‐Disiloxanediols and Their Activity as Anion‐Binding Catalysts

A series of new 1,3‐disiloxanediols has been synthesized, including naphthyl‐substituted and unsymmetrical siloxanes, and demonstrated as a new class of anion‐binding catalysts. In the absence of anions, diffusion‐ordered spectroscopy (DOSY) displays self‐association of 1,3‐disiloxanediols through hydrogen‐bonding interactions. Binding constants determined for 1,3‐disiloxanediol catalysts indicate strong hydrogen‐bonding and anion‐binding abilities with unsymmetrical siloxanes displaying different hydrogen‐bonding abilities for each silanol group.     

Resonances of a hydrogen atom in strong parallel electric and magnetic fields using B-spline basis sets

The B-spline basis set plus complex scaling method is applied to the numerical calculation of the exact resonance parameters Er and Г/2 of a hydrogen atom in parallel electric and magnetic fields. The method can calculate the ground and higher excited resonances accurately and efficiently. The resonance parameters with accuracies of 10^-9 - 10^-12 for hydrogen atom in parallel fields with different field strengths and symmetries are presented and compared with previous ones. Extension to the calculation of Rydberg atom in crossed electric and magnetic fields and of atomic double excited states in external electric fields is discussed.     

Study on hydrogen sulfide plasma passivation of 790-nm laser diode cavity surface

In order to improve the optical properties of the Ⅲ-Ⅴ laser diodes(LDs) by means of H2S plasma passivation technology,H2S plasma passivation treatment is performed on the GaAs(110) surface.The optimum passivation conditions obtained are 60-W radio frequency(RF)power and 20-min duration.So the laser cavity surfaces axe treated under the optimum passivation conditions.Consequently,compared with unpassivated lasers with only AR/HR-coatings,the catastrophic optical damage (COD) threshold value of the passivated lasers by H2S plasma treatment is increased by 33%,which is almost the same as that of (NH4)2Sx treatment.And the life-test experiment has demonstrated that this passivation method is more stable than(NH4)2Sx solution wet-passivated treatment.