An investigation of trivalent substituted M-type hexagonal ferrite using X-ray and Mössbauer spectroscopy

Series of substituted M-type hexagonal ferrite has been synthesized, and studied by means of X-ray diffraction, IR and Mössbauer spectroscopy. The samples have the formula (BaCr _x Fe_12?x O₁₉) (with x = 0.0, 1.0, 2.0, 3.0, 4.0, and 5.0). X-ray diffraction studies prove that all samples has a single phase M-type hexagonal structure. The lattice parameters both a and c were found to be composition dependent. This observation was attributed to the atomic radii of the substituted cations. The Mössbauer spectra change from magnetically ordered (x = 0) toward magnetically ordered with strong line broadening. The broadening increases as the Cr content increase. Measurements at low temperature (80 K) restore the magnetic order. The Mössbauer parameters suggest that Cr³⁺ prefers to occupy the 4f₂ and 2a crystal sites. IR absorption bands were observed between 1,500 and 400 cm^?1, and confirm the structure in coincidence with X-ray results.     

六方氮化硼薄膜对石墨烯-碳化硅结构近场热辐射的增强

六方氮化硼(hBN)具有跟石墨烯类似的层状结构和晶格参数,研究发现hBN薄膜具有良好的热传导、电绝缘、光学和力学等性能。本文从理论上研究了hBN薄膜对石墨烯-碳化硅(G/S)结构的近场热辐射的影响。研究发现在红外频段.hBN薄膜在低频率区和高频率区会增强G/S结构的近场热辐射,经计算在G/S结构中加入厚度为10 nm的hBN薄膜时获得的辐射热流是同物理条件下G/S结构的1.5倍;而在中频率区hBN薄膜的厚度阻碍了石墨烯表面等离激元和碳化硅表面声子极化激元的耦合,使得近场热辐射热流随hBN薄膜厚度增加而逐渐减弱。本研究的结果可为下一步实验与应用中对hBN薄膜厚度的选择提供理论基础。     

六方氮化硼单层中一种(CN)3VB缺陷的第一性原理计算

二维六方氮化硼(hBN)的点缺陷最近被发现可以实现室温下的单光子发射,而成为近年的研究热点.尽管其具有重要的基础和应用研究意义,hBN中发光缺陷的原子结构起源仍然存在争议.本文采用基于密度泛函理论的第一性原理计算,研究hBN单层中一种B空位附近3个N原子被C替代的缺陷(CN)3VB.在hBN的B空位处,3个N原子各自带一个在平面内的悬挂键及相应的未配对电子,而通过C替换可以消除未配对的电子.系统研究了(CN)3VB缺陷的几何结构、电子结构以及光学性质,结果表明,缺陷可以由一个对称的亚稳态经过原子结构弛豫变成1个非对称的、3个C原子连在一起的基态结构.缺陷的形成在hBN中引入了一些由缺陷悬挂σ键及重构的π键贡献的局域缺陷态.这些缺陷态可以导致能量阈值在2.58 eV附近的可见光内部跃迁.本文的工作有助于进一步理解hBN中点缺陷的构成及光学性质,为实验上探讨发光点缺陷的原子结构起源及其性质提供理论依据.     

Synthesis and characterization of a biphenyl-linked hemicryptophane and an endohedral cobalt(II) complex

Hemicryptophanes are covalent molecular cages, constructed from a cyclotriveratrylene-based host unit and a functional unit linked by covalent spacers, which have been designed to accommodate endohedral functionalities in the cavity. In this study, the synthesis and characterization of the rigid, biphenyl-linked hemicryptophane 1 were investigated by NMR, ESI-MS, and X-ray crystallography. The structure of the inclusion complex, in which a dichloromethane molecule was constructed encapsulated within 1, was characterized by X-ray crystallography. An endohedral, cobalt(II) hemicryptophane complex 2 was also synthesized and characterized ESI-MS and X-ray crystallography. The X-ray crystal structure of 2 showed that the biphenyl-linked hemicryptophane had three components—a molecule each of chloroform and acetonitrile, and a cobalt(II) ion—within its cavity.     

Fabrication of Large‐Scale Hierarchical ZnO Hollow Spheroids for Hydrophobicity and Photocatalysis

We report here the preparation of a crystalline, pure hexagonal phase of ZnO as hollow 500–800 nm spheroids in the presence of organic bases, such as pyridine, using zinc acetate as the precursor salt. The spheroids exhibit unique 3D hierarchical architectures, like cocoons, and demonstrate improved superhydrophobic (water contact angle, 150°) character due to the inherited air‐trapped capillarity within the cocoon structure. The simple synthetic strategy used in this process is modified hydrothermolysis (MHT), which represents a general approach and may contribute to the formation mechanism of the hollow nanostructures with highly improved porosity. Depending on the concentration of the precursor salt, it has been possible to cover glass plates or the inner wall of a reaction vessel with ZnO nanocrystals. A low salt concentration (<0.01 M ) allows the easy preparation of a superhydrophobic glass surface, whereas a high salt concentration (>0.01 M ) results in the precipitation of cocoons at the bottom of the reaction vessel as a solid mass together with a deposited thin film of ZnO nanocrystals covering the inner wall of the glass vessel. The thickness of the film successively grows through repetitive hydrothermolysis processes for which a low salt concentration (<0.01 M ) was employed. Because of the hollow cocoonlike morphology, the surface area of the film is greatly increased, which makes it accessible for functionalization by incoming substrates from both sides (internally and externally) and helps to drive a competent photocatalytic dye degradation pathway. The heterocyclic base pyridine exclusively develops cocoons. Thus, the mechanism of self‐aggregation of ZnO nanocrystals under MHT reaction conditions has been studied and the characterization of the compounds has been supported with physical measurements.     

Vertex‐Transitive Cubic Graphs of Square‐Free Order

A classification of connected vertex‐transitive cubic graphs of square‐free order is provided. It is shown that such graphs are well‐characterized metacirculants (including dihedrants, generalized Petersen graphs, Möbius bands), or Tutte's 8‐cage, or graphs arisen from simple groups PSL(2, p).     

L（1, 2）-edge-labelings for lattices

For a graph G and two positive integers j and k, an m-L(j, k)-edge-labeling of G is an assignment on the edges to the set {0, 1, 2,..., m}, such that adjacent edges which receive labels differ at least by j, and edges which are distance two apart receive labels differ at least by kThe λ j,k-number of G is the minimum m such that an m-L(j, k)-edge-labeling is admitted by GIn this article, the L(1, 2)-edge-labeling for the hexagonal lattice, the square lattice and the triangular lattice are studied, and the bounds for λ j,k-numbers of these graphs are obtained.