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61.
The paper reports Time Dependent Density Functional Theory (TD DFT) calculations providing the structure, electronic properties and spectra of [Ru(II)(bpy)3? n (dcbpy) n ]2+ and [Rh(III)(bpy)3? n (dcbpy) n ]3+ complexes, where bpy?=?2,2′-bipyridyl, dcbpy?=?4,4′-dicarboxy-2,2′-bipyridyl, and n?=?0,?1,?2,?3, studied as possible pigments for dye-sensitized solar cells. The role of the metallic ion and of the COOH groups on the optical properties of these complexes are compared and contrasted and their relevance as dyes for hybrid organic–inorganic photovoltaic cells is discussed. It was found that the optical spectra are strongly influenced by the metallic ion, with visible absorption bands for the Ru(II) complexes and only ultraviolet bands for the Rh(III) complexes. Upon excitation, the extra positive charge of the Rh3+ centre tends to draw electrons towards the metal ion, facilitating some charge transfer from the ligand to the metal, whereas in the case of the Ru2+ ion the electron transfer is clearly from the metal to the ligand. The carboxyl groups play an important role in strengthening the absorption bands in solution in the visible region. Of the complexes studied, the most suited as pigments for dye-sensitized solar cells are the [Ru(II)(bpy)3? n (dcbpy) n ]2+ complexes with n?=?1 and 2. This is based on the following arguments: (i) their intense absorption band in the visible region, (ii) the presence of the anchoring groups allowing the bonding to the TiO2 substrate and the charge transfer, and (iii) the good energy level alignment with the conduction band edge of the semiconducting substrate and the redox level of the electrolyte. 相似文献
62.
Segmented poly(ester-urethane)elastomers (PU) based on poly(ethylene diethylene adipate) diols as a soft segment and aromatic diisocyanates in the hard segment were synthesized by a conventional method. The precipitated and compact polyurethane films have been degraded after a limited exposure to natural weathering. The effects on mechanical properties of precipitated and compact polyurethane films were found to be a measure of the degradation due to weathering. The present study attempts to correlate the physical-mechanical properties of the precipitated polyurethane and compact films with time of weathering. In all cases a certain amount of oxidative change had been initiated. This was probably associated with enzyme adsorption on surfaces. We compared natural weathering of PU films carried out in earth, seawater and exposure to sunlight with untreated samples. In common with other weathering tests, the effect was to decrease the ultimate tensile strain, except seawater. It was found that enzymatic degradation in the earth occurred only after, the ageing process was continuous and practically linear with a relatively short initial period of increase in degradation rate. 相似文献
63.
64.
A. Pantelică C. Oprea M. Frontasyeva I. I. Georgescu E. Pincovschi L. Catană 《Journal of Radioanalytical and Nuclear Chemistry》2004,262(1):111-118
Instrumental neutron activation analysis (INAA) was used to determine various trace elements in crop vegetation (potato, carrot
and maize) grown around a phosphate fertilizer plant in Romania. INAA using long-lived radionuclides was applied at NIPNE
in Bucharest, and based on short-lived radionuclides at JINR in Dubna. The results for Na, Mg, Cl, K, Ca, Mn, Fe, Zn, As,
and Hg were compared with Romanian norms for the alimentary products, as well as with literature data. Concentration ratios
to control samples for both soil and crop as well as concentration factors of crop to host soil were assessed.
This revised version was published online in July 2006 with corrections to the Cover Date. 相似文献
65.
L. M. Mosulishvili Ye. I. Kirkesali A. I. Belokobylsky A. I. Khizanishvili M. V. Frontasyeva S. F. Gundorina C. D. Oprea 《Journal of Radioanalytical and Nuclear Chemistry》2002,252(1):15-20
To evaluate the potentiality of the blue-green algae Spirulina platensis as a matrix for the production of Se-containing pharmaceuticals, the background levels of 31 major, minor and trace elements (Na, Mg, Al, Cl, K, Ca, Sc, V, Cr, Mn, Fe, Co, Ni using (n,p) reaction), As, Br, Zn, Rb, Mo, Ag, Sb, I, Ba, Sm, Tb, Tm, Hf, Ta, W, Au, Hg, Th were determined in Spirulina platensis biomass by means of epithermal neutron activation analysis. The possibility of the purpose-oriented incorporation of Se into Spirulina platensis biomass was demonstrated. The polynomial dependence of the Se accumulation on nutritional medium loading was revealed. The analytical technique used allows to control the amount of toxic elements in algae Spirulina platensis. Based on this study, a conclusion of the possibility to use Spirulina platensisas a matrix for the production of Se-containing pharmaceutical was drawn. 相似文献
66.
We give an algebro-geometric derivation of the known intersection theory on the moduli space of stable rank 2 bundles of odd degree over a smooth curve of genus g. We lift the computation from the moduli space to a Quot scheme, where we obtain the intersections via equivariant localization with respect to a natural torus action. 相似文献
67.
The molecular and crystal structure of the [La(NO3)3(H2O)2(2.2′-BiPy)]·1.5(2.2′-BiPy) compound is determined. The metal coordination polyhedron in the La(III) complex is formed from 10 donor atoms of O8N2: 6 oxygen atoms belong to three chelate-coordinated NO 3 ? anions, 2 oxygen atoms belong to two water molecules, and 2 nitrogen atoms belong to a bidentate bipyridine molecule coordinated in the neutral form. The structure is based on the metal complexes linked together in chains through the O(W)-H...O hydrogen bonds, in which oxygen atoms of the coordinated NO 3 ? anions act as acceptors. It is a framework structure, further stabilized by a system of O(W)-H...N and C-H...N hydrogen bonds, in which nitrogen atoms of the uncoordinated bipyridine molecules act as proton acceptors. 相似文献
68.
69.
John Oprea 《Proceedings of the American Mathematical Society》2002,130(3):833-839
This brief note presents refinements of the bounds on the first Betti number and the polynomial growth degree of the fundamental group for manifolds with nonnegative Ricci curvature and infinite fundamental group. These refinements are then sharpened when applied to symplectic manifolds.
70.
通过静态失重法研究了十二烷基苯磺酸钠(SDBS)与六亚甲基四胺(HA)在盐酸溶液中对Q235钢的协同缓蚀效应, 并采用分子动力学模拟从缓蚀剂膜抑制腐蚀粒子扩散的角度对其缓蚀机理进行分析. 结果显示: SDBS和HA单独使用时, 最高缓蚀效率分别为82.82%和79.46%, 复配后最高缓蚀效率可达到92.78%; 与两种缓蚀剂单独使用时相比, SDBS与HA复配后缓蚀剂膜体系中的自由空间明显下降, 削弱了膜内缓蚀剂分子的自扩散能力, 腐蚀粒子在缓蚀剂膜携带下的被动迁移也随之减弱; SDBS与HA复配能更有效抑制腐蚀粒子在缓蚀剂膜中的扩散, 也就是说复配后的缓蚀剂具有更好的缓蚀性能. 相似文献