关键词：
Density of states;Fermi energy;Rh-Ir;Thermoelectric energy
摘要：
Thermoelectric energy of Rh-Ir alloy was investigated in this paper. At first the super cell models for the alloy were built by changing the composition of alloy and its crystal structure in CASTEP. Then the density of states (DOS), Fermi energy and the electronics structure can be calculated with the plane-wave pseudo potential local density algorithm (LDA) in CASTEP software package. The thermoelectric energy can be obtained according to the Onsager's relationship and DOS of alloys with different compositions. The calculated results is consistent with that from measurement.
作者机构：
Changsha University of Science & Technology, School of Chemistry & Biological Engineering, Changsha 410076, China;XiangYa medical College of Central South University, Department of Clinical Laboratory, Changsha 410013, China
通讯机构：
Changsha University of Science & Technology, School of Chemistry & Biological Engineering, China
摘要：
Article Crystal structure of 6 -methoxy-N2-(2,2,6,6-tetramethylpiperidin-4-yl)-N4-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamlne,C21H40N6O was published on April 1, 2009 in the journal Zeitschrift für Kristallographie - New Crystal Structures (volume 224, issue 1-4).
摘要：
Effects of a novel nucleating agent bicyclic [2,2,1] heptane di-carboxylate (HPN-68) on the properties, crystallization, and melting behavior of isotactic polypropylene (iPP) were studied. The results showed that HPN-68 is a typical nucleating agent for α-iPP and it has high nucleation efficiency. Addition of a small amount of HPN-68 to iPP can obviously increase crystallization peak temperature and mechanical properties of iPP. When the concentration of HPN-68 is 0.2 wt.%, the crystallization peak temperature can be increased by about 15°C, and the tensile strength and flexural modulus of iPP can be increased by 12.74% and 18.24%, respectively.
摘要：
In this paper, we investigated three ligand systems, symmetric and asymmetric pyridyl-containing tridentate ligands (L1NH2 = (bis(2-pyridylmethyl)-amino)-ethylamine, L2H = (bis(2-pyridylmethyl)-amino)-acetic acid, L3NH2 = [(6-amino-hexyl)-pyridyl-2-methyl-amino]-acetic acid) as bifunctional chelating agents for labeling biomolecules. These ligands reacted with the precursor fac-[188Re(CO)3(H2O)3]+ and yielded the radioactive complexes fac-[188Re(CO)3L] (L = three ligands), which were identified by RP-HPLC. The corresponding stable rhenium tricarbonyl complexes (1–3) were allowed for macroscopic identification of the radiochemical compounds. 188Re tricarbonyl complexes, with log Po/w values ranging from −1.36 to −0.32, were obtained with yields of ≥90% using ligand concentrations within the 10−6−10−4M range. Challenge studies with cysteine and histidine revealed the high stability properties of these radioactive complexes, and biodistribution studies in normal mice indicated a fast rate of blood clearance and high rate of total radioactivity excretion, primarily through the renal-urinary pathway. In summary, these asymmetric and symmetric pyridyl-containing tridentate ligands are potent bifunctional chelators for the future biomolecules labeling of fac-[188Re(CO)3(H2O)3]+.
摘要：
The title mononuclear zinc(II) complex, [Zn(C(11)H(16)N(2)O(2))(2)-(NCS)] NCS center dot 0.5H(2)O, consists of a complex cation, a thiocyanate anion, and half of a water molecule. The Zn II atom in the cation is five-coordinated by two imine N and two phenolate O atoms from two bidentate Schiff base ligands, and by one N atom of a thiocyanate ligand, forming a distorted trigonal-bipyramidal geometry. The ammonio H atoms are involved in hydrogen bonding with the ligand O atoms and the solvent water molecules (site occupation factor 0.5), which partially determines the conformation of the ligands.
作者机构：
[谢丹; 李浔] College of Chemical and Environmental Engineering, Changsha University of Science and Technology, Changsha 410076, China;[陈冠益] College of Environment, Tianjin University, Tianjin 300072, China;[周志明] College of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China
通讯机构：
College of Chemical and Environmental Engineering, Changsha University of Science and Technology, China
摘要：
Gd/N codoped nano-TiO2 photocatalyst were synthesized by a sol–gel method and characterized by various analytical methods, such as TEM, XRD and UV–vis–DRS. The photocatalytic activity was evaluated by the photodegradation of Humic Acids (HA) in an aqueous solution under the ultraviolet irradiation. The experiment results showed that as-produced samples had higher photodegradation for HA than that of P25, N doped nano-TiO2, and Gd doped nano-TiO2. Gd nanoparticles doped on the surface act as electron traps, enhancing the separation of electron-hole pairs, N atoms doped in TiO2 narrow the band gap, Gd/N codoped TiO2 nanopowders benefit from both of the effects.
摘要：
The title compound, C(15)H(13)N(3)O(4), was synthesized by the reaction of equimolar quantities of 2-methoxybenzaldehyde and 2-nitrobenzohydrazide in methanol. The dihedral angle between the two substituted benzene rings is 68.3 (2)degrees. In the crystal structure, inversion dimers linked by pairs of N-H center dot center dot center dot O hydrogen bonds occur.
