Electronic properties of dehydrogenated nanodiamonds: A first-principles study

First-principles calculations using quantum-mechanical density functional theory (DFT) are carried out to study the geometric structure and electronic properties of dehydrogenated nanodiamonds with diameters varying from 0.8 nm to 1.6 nm. The results show that the electronic properties of dehydrogenated nanodiamond are quite different from those of bulk diamond or hydrogenated nanodiamond. Surface atoms play an important role in the electronic structure, especially the states near the Fermi level, for dehydrogenated nanodiamond. In addition, it has been revealed that the size-dependent feature in the electronic properties for dehydrogenated diamonds is also contributed by the surface effect, in addition to the quantum confinement effect.     

Syntheses and Structural Characterization of Triorganotin Derivatives of Bis(carboxymethyl)trithiocarbonate: X-ray Crystal Structures of 2D Network Polymers

Six triorganotin(IV) complexes of the type {(R₃Sn)₂[C₃S₃(COO)₂]}_n (R = C₆H₅ 1; n-Bu 2; PhCH₂ 4; p-F-PhCH₂ 5; o-F-PhCH₂ 6) and {(R₃Sn)₂[C₃S₃(COO)₂]}_n·[EtOH] (R = Me 3) have been synthesized by the reaction of bis(carboxymethyl)trithiocarbonate with triorganotin(IV) chloride in the presence of sodium ethoxide. All complexes were characterized by elemental analysis IR, ¹H, ¹³C and ¹¹⁹Sn NMR spectroscopy. Except for 4–6, all complexes were also characterized by X-ray crystallography. The X-ray date revealed that complexes 1–3 show two-dimensional network polymeric structure in which the geometries of tin atoms are trigonal bipyramid with the axial positions occupied by carboxylic oxygen atoms.     

Concomitant Crystallization of Copper(II) Sachharinato Complexes with 2-methylpyrazine as a Monomer and an One-dimensional Polymer: Syntheses,Crystal Structures,Spectroscopic and Thermal Properties

The reaction of [Cu(sac)₂(H₂O)₄] · 2H₂O with 2-methylpyrazine (mpyz) leads two complexes, concomitant crystallization of a mononuclear complex [Cu(sac)₂(mpyz)(H₂O)₂] (1) and a polymeric complex [Cu(sac)₂(μ-mpyz)]_n (2). Both complexes have been characterized by elemental analyses, magnetic measurements, FT-IR and ESR, TG-DTA and single-crystal X-ray diffraction analyses. Single-crystal X-ray analyses show that complex 1 consists of discrete molecules in which the copper(II) ions exhibits a square-pyramidal coordination geometry. The individual molecules of 1 are connected into a hydrogen-bonded chain structure, which is further assembled to form a three-dimensional network by π–π stacking interactions. Complex 2 is an 1D coordination polymer in which copper(II) centers are bridged by the mpyz ligand. The chains are further assembled to form two-dimensional frameworks by π–π and C–H···π stacking interactions.     

Hydrothermal Synthesis of Magnesium Aluminate Platelets

Magnesium aluminate (MgAl₂O₄) platelets were first synthesized by hydrothermal treatment of γ-AlO(OH) in a magnesium nitrate aqueous solution at 400°C. The platelets are 100–200 nm in width and 25 nm in thickness. The influence of temperature, the anions of the magnesium salt, the amount of magnesium salt, and precursor pH on the formation of such structure was investigated. The experimental results indicated that the anions of the magnesium salt and precursor pH could have a significant influence on the growth of MgAl₂O₄. MgAl₂O₄ formation followed the in situ transformation mechanism, which was the reason why the MgAl₂O₄ crystallites had a platelet morphology.     

Real world applications of a fuzzy decision model based on relationships between goals for finance services and sequencing for the assembly of cars

Real world applications of a decision model of relationships between goals based on fuzzy relations are presented. In contrast to other approaches the relationships between decision goals or criteria for each decision situation are represented and calculated explicitly. The application fields are decision making for financial services and optimization of production sequences in car manufacturing.     

4招PK产后抑郁

最近一段时间，身边不少女性朋友纷纷升级做了母亲。本以为家庭幸福、事业顺利的她们在喜得贵子之后会更加快乐，可恰恰相反，在最初的喜悦过后，她们似乎变得比以前更加敏感和焦躁不安，甚至有些人的婚姻关系也变得异常紧张。究竟是什么原因使这些新妈妈不快乐呢？为此，笔者带着疑问走访了北京回龙观医院康复科崔勇主任。[编者按]