Theoretical Studies on the Si（001）-SiO2 Interface Structure

1 INTRODUCTION Silicon and its alloy have been widely applied in such fields as electronic industry, high-temperature structural ceramics, etc. In addition, the researches on silicon and its relevant materials greatly promote the rapid development of modern optics and infor- mation technology. Therefore, more and more at- tention is focused on the structure of silicon, oxide of silicon and the interfaces between silicon and metal or nonmetal. As an ideal passive film on the Si surface, S…     

Structural Phase Transformations of ZnS Nanocrystalline Under High Pressure

In-situ energy dispersive x-ray diffraction on ZnS nanocrystalline was carried out under high pressure by using a diamond anvil cell. Phase transition of wurtzite of 10nm ZnS to rocksalt occurred at 16.0GPa, which was higher than that of the bulk materials. The structures of ZnS nanocrystalline at different pressures were built by using materials studio and the bulk modulus, and the pressure derivative of ZnS nanocrystalline were derived by fitting the equation of Birch-Murnaghan. The resulting modulus was higher than that of the corresponding bulk material, which indicates that the nanomaterial has higher hardness than its bulk materials.     

A MEMS-Based Piezoelectric Power Generator for Low Frequency Vibration Energy Harvesting

A novel power generator has been achieved to convert vibration to electrical energy via the piezoelectric effect. The generator obtained by micro fabrication process mainly consists of silicon based frame and composite cantilever. The prototype tested at resonant vibration generates 1.15μW of effective power to a 20.4-kΩ resistance load. The potential of this work is to offer miniaturization solutions for power generators, and with the proposed method the ambient ubiquitous vibration can be harvested effectively as endless energy source to form an integrated self-powering system.     

Hydrothermal Synthesis and Crystal Structure of a Novel Isophthalate-bridged Copper(II) Polymer with Two-dimensional Network Structure: [Cu_2(phen)(ipt)_2]_(2n)·nH_2O (ipt = isophthalate, phen = 1,10-phenanthroline)

1 INTRODUCTION donor due to the presence of the protonated carboxyl group; (d) it can form short bridges via one car- Coordination polymers are of great interest due to boxylato end or long bridges via the benzene ring[7]. their physical properties and potential applications in We believe that coordination functionality of isoph- functional materials[1~3]. Aromatic polycarboxylic acids thalate can lead to interesting structures. In this com- such as 1,2,4,5-benzenetetracarboxylic acid[4],…     

Synthesis and Crystal Structure of 1,4-Bis(2-hydroxymethylphenyl)-1,4-dioxabutane

1 INTRODUCTION Macrocyclic ligands and their metal complexes have received much attention due to their applications in ion transport, ion separation and as models in biomimic researches[1~7]. The synthetic methods of macrocyclic ligands and their metal complexes are mainly divided into three kinds[8]. The first one is synthesizing free ligand, then forming the metal complexes; the second is template synthesis; and the third is synthesizing the end-off or side-off precursor ligand, then c…     

Crystal Structure and Characterization of 2-N-(2-Hydroxy-benzylidene) Furanmethanoamine Nickel(II) Complex

1 INTRODUCTION Recently, the low-spin square-planar nickel(II) complexes and high-spin octahedral nickel(II) complexes with Schiff base ligands have received much attention in optical materials[1～3]. Some nic- kel(II) complexes are widely used as lubricating oil, rubber industry additives, a fire-resistant additive and fungicide for leather[4～7]. Also, their adducts with nitrogen have attracted broad attention due to their potential applications as organic conductors and magnetic mate…     

碳纤维表面酰氯化及其与尼龙6的接枝Ⅰ、接枝方法及复合材料的力学性能

碳纤维表面酰氯化及其与尼龙6的接枝Ⅰ、接枝方法及复合材料的力学性能;阴离子接枝     

Synthesis and Crystal Structure of a New Copper(II) Complex with 4-Cyanobenzoic Acid

1 INTRODUCTION Exploration on the syntheses and properties of car- boxylate complexes, especially aromatic carboxylate complexes, has always been a fascinating and chal- lenging research field for decades either in coor- dination chemistry or in functional materials[1, 2]. Cy- anobenzoic acid (Hcba) possessing two functional coordination groups should display structural diver- sities on the formation of complexes[3～15]. In particu- lar, the copper(II) carboxylate complexes bearing spe- …     

Synthesis and Crystal Structure of a 1-D Chain Zinc（Ⅱ） Coordinated Polymer with N-p-Tolysulfonyl-glutamine

A novel coordination polymer {[Zn(ts-gln)(bipy)]3H2O}n (ts-glnH2=N-p-toly-sulfonyl-glutamine,bipy=2,2-bipyridine) has been prepared and structurally characterized by X-ray diffraction method. It crystallizes in orthorhombic,space group P212121 with a=8.2622(5),b=16.6244(10),c=18.2807(10) ,V=2510.9(3) 3,C22H28N4O8SZn,Mr=573.91,Z=4,Dc= 1.518 g/cm3,μ(MoKa)=1.115 mm-1,F(000)=1192,the final R=0.0262 and wR=0.0662 for 5691 independent reflections with Rint=0.0240. The zinc(Ⅱ) atom is coordinated by N(3) and N(4) atoms of a bipy molecule,two carboxylate O(1) and O(2A) and amino N(1) atoms of ts-gln ligands,resulting in a square-pyramidal geometry. The title complex consists of an infinite zigzag chain of zinc(Ⅱ) ions linked by the carboxylate of N-p-tolysulfonyl-glutamine.     

Synthesis and Crystal Structure of a 1-D Coordination Polymer {[Cu(NIT4py)_2(ip)]·6H_2O}_n

1 INTRODUCTION Pyridyl-substituted nitroxide radicals have at- tracted considerable attention in recent years due to the ability to coordinate with metal ions and act as magnetic couplers, giving rise to new functional ma- terials with particular magnetic and optical prope- rties as well as a variety of structural topologies[1~3]. Considerable efforts have been made in designing and preparing multi-dimensional materials with app- ropriate bridges, such as pseudohalide, dicyanide, dicyanoa…