bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis and characterization of Cu2ZnSnS4
Authors: Chory Christine , Zutz Folker , Witt Florian , Borchert Holger , Parisi Jürgen 
Published: March 2010

AbstractWe report on the characterization of Cu2ZnSnS4 (CZTS) polycrystalline powder that was prepared in a facile one‐pot synthesis of colloidal nanoparticles and characterized with thermal analysis and X‐ray diffraction. For the investigation of impurities and trap states in CZTS, electron spin resonance (ESR) measurements were performed. Defect states for charge carriers as well as the existence of Cu(II) ions in varying amounts depending on the precursors used were observed. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
The impact of front contact ZnO:Al/Zn1‐xMgxO layer on Cu(In,Ga)Se2 thin‐film solar cells
Authors: Li Xiaonan , Kanevce Ana , Li Jian V. , Repins Ingrid 
Published: March 2010

AbstractWe studied the impact of the front‐window layer on Cu(In,Ga)Se2 (CIGS) solar cells. A bi‐layer structure of ZnO:Al/ZnO was used as a standard front‐window layer, and a replacement of ZnO by Zn1‐xMgxO was analyzed. A numerical simulation was performed to understand the device characterization results. The results clearly indicate that any variation on the front‐window layer and deposition condition impacts the underlying CdS/CIGS junction. Therefore, it is important to carefully choose the component of the front‐window layer and sputtering parameters to protect the junction formation. With careful front‐window layer design and modeling, an optimized device performance with a Zn1‐xMgxO layer has been achieved (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Role of excitons in the excitation of deep‐level emission in ZnO crystals
Authors: Kushnirenko V. I. , Markevich I. V. , Borkovska L. V. , Bulakh B. M. 
Published: March 2010

AbstractIn undoped ZnO crystals, photoluminescence excitation (PLE) spectra of deep‐level green and orange PL bands as well as photocurrent (PC) spectra were measured at 77 and 290 K. Some PLE and PC peaks whose energy positions coincided with that of free exciton and its excited states were observed, the intensity of PL and PC excited in these peaks being higher than under excitation by band‐to‐band light. At the same time, a sharp minimum was found in PLE and PC spectra at the position of donor‐bound exciton. Obtained results were accounted for by the interaction of excitons with lattice defects. A number of longer wavelength PLE and PC peaks whose energy positions coincided in fact with that of the first, second and third phonon replicas of free exciton were also observed. The origin of these peaks is discussed. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Epitaxial growth of ZnSe and ZnSe/CdSe nanowires on ZnSe
Authors: Bellet‐Amalric E. , Elouneg‐Jamroz M. , Bougerol C. , Den Hertog M. , Genuist Y. , Bounouar S. , Poizat J.P. , Kheng K. , André R. , Tatarenko S. 
Published: March 2010

AbstractWe report the molecular beam epitaxy (MBE) growth of ZnSe nanowires (NWs) on a ZnSe(100) epilayer assisted by gold catalyst. Gold dewetting assists in the formation of nanotrenches along the [0‐1‐1] direction in the ZnSe buffer layer. Nucleation of the gold catalyst in the trenches leads to the growth of NWs preferentially in directions orthogonal to the trenches. The wires adopt mostly the wurtzite type structure and grow along the c‐axis. CdSe quantum dots were inserted in the ZnSe NWs. The CdSe insertions systematically adopt a cubic zinc‐blende arrangement with a [111] growth axis, as confirmed by transmission electron microscopy. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Cascade upconversion of photoluminescence in ensembles of II‐VI semiconductor nanocrystals
Authors: Malainho E. , Santos J. R. , Vasilevskiy M. I. , Filonovich S. A. , Rakovich Y. P. , Rogach A. 
Published: March 2010

AbstractWe present the theory of the thermally activated photoluminescence upconversion, also known as anti‐Stokes photoluminescence (ASPL), based on the quantum dot (QD) polaron effect and explaining all the principal features of the ASPL in colloidal solutions of chemically grown nanocrystals (NCs). The results obtained by Monte‐Carlo simulations reproduce all the experimentally observed ASPL trends in colloidal NC solutions and are being extended to dense QD systems, such as films composed by layers of closely packed NCs (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Multi‐band theory of magnetoexcitons in ZnO/ZnMnO quantum wells
Authors: Bardyszewski Witold 
Published: March 2010

AbstractWe present a multiband magnetoexciton absorption model in ZnO/ZnMnO quantum wells which takes into account the details of the valence band structure. In our model we incorporate the k·p as well as the Coulomb coupling between valence sub‐bands. The s,p‐d interaction between the carriers and the magnetic ions in the barrier is taken into account within the mean field approximation.The effect of the electric field is accounted for using proper potential profile of the quantum well. As a result we obtain electric and magnetic field dependent excitonic absorption spectra from which the exciton binding energies and life‐times as well as the overlap with the magnetic barrier material may be deduced (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Liquid chromatography/mass spectrometry for investigating the biochemical effects induced by aristolochic acid in rats: the plasma metabolome
Authors: Lin Shuhai , Chan Wan , Li Jinhua , Cai Zongwei 
Published: March 2010

AbstractIn this study, high‐performance liquid chromatography coupled with quadrupole time‐of‐flight mass spectrometry in conjunction with chemometric methods including principal components analysis was used to investigate metabolic profiling in plasma samples from rats dosed with aristolochic acid (AA). Differentiating metabolites were identified by high‐resolution mass spectrometry and tandem mass spectrometry analyses, database searching and comparison with the analytical results of authentic standards. Several metabolites in plasma including a glucuronide conjugate, bile acids, lysophosphatidylcholines and fatty acids were detected in rats exposed to AA. To improve visualization, a z‐score plot and a cluster heat map were generated for the concentration fluctuations of the metabolites in different dosage groups. The results obtained from this study indicated that class‐specific metabolomic patterns were obviously differentiated for each metabolite in the different dosage groups of AA. Copyright © 2010 John Wiley & Sons, Ltd.
River impoundment and sunfish growth
Authors: Rypel A. L. 
Published: March 2010

AbstractImpoundment of rivers by dams is widespread and one of the most devastating anthropogenic impacts to freshwater environments. Linking theoretical and applied research on river impoundment requires an improved capacity for predicting how varying degrees of impoundment affects a range of species. Here, growth of 14 North American sunfish species resilient to river impoundment was compared in rivers versus impoundments. Growth response to river impoundment varied widely, but consistently among taxa: five species (shadow bass, rock bass, flier, redbreast sunfish and green sunfish) showed significantly higher growth in riverine ecosystems, four species (largemouth bass, smallmouth bass, spotted bass and longear sunfish) showed significantly higher growth in impounded ecosystems, and five species (bluegill, black crappie, white crappie, redear sunfish and warmouth) displayed no difference in growth between rivers and impoundments. Furthermore, significant linear models were developed for predicting growth of two species (largemouth bass, R2 = 0.75 and warmouth, R2 = 0.44) based on a physiographically specific index of reservoir retention time. For another species (white crappie), growth could not be predicted by the retention time index in Central Lowlands rivers (R2 = 0.001), but was strongly predicted by this factor in southeastern Coastal Plain rivers (R2 = 0.76) showing how impacts of impoundment, and prediction of its consequences, can vary across river landscape types. Further analysis of fish growth in response to river impoundment, regulation and fragmentation could greatly enhance conservation biology, restoration ecology and basic land use decisions in riverine landscapes. Copyright © 2010 John Wiley & Sons, Ltd.
Movement of three non‐salmonid fish species through a low‐gradient vertical‐slot fishway
Authors: White L. J. , Harris J. H. , Keller R. J. 
Published: March 2010

AbstractWell‐designed fishways have assisted in restoring migrations and rehabilitating riverine fish species in all continents. The performance of fishways varies greatly with their type, design and operating regime, and with the species involved. Vertical‐slot fishways are widely used to overcome low‐level barriers, especially for non‐salmonids. Important issues remain in the design of fishways to meet performance and cost criteria, including the relationship between fishway bed gradient and the fish that ascend, and whether resting pools are needed. Models of species' movement patterns can inform fishway designers about likely fish response to various design options, and can lead to improved efficiency and effectiveness.Models of general movement patterns of three potamodromous non‐salmonid fishes in the Murray River, Australia, were developed from empirical data in a low‐gradient vertical‐slot fishway. The models integrate data on times of entry and exit, ascent rates, and whether fish continued to ascend during the night. These fish species did not favour resting pools. Ascent rates of fish ≥120 mm were more closely related to fish behaviour than to length; for a given fishway height, reducing bed slope by increasing the number of pools may slow the ascent of such fish, whereas enlarging pool volumes increases costs. Copyright © 2010 John Wiley & Sons, Ltd.
Reinterpretation of Three Crystal Structures of Alkali Oxoiodate(V) – Description of the [I3O8]–Anion and the Infinite 2D [I3O8–]∞Anion
Authors: Gautier‐Luneau Isabelle , Suffren Yan , Jamet Hélène , Pilmé Julien 
Published: March 2010

AbstractTwo Cs2(IO3)(I3O8) polymorph phases and the Rb2(I3O8)(IO3)(HIO3)2(H2O) compound were prepared by hydrothermal syntheses and characterised by X‐ray single crystal diffraction.α‐Cs2(IO3)(I3O8) crystallises in the hexagonal space groupP63(a= 7.366(1) Å;c= 13.883(1) Å;V= 652.3(1) Å3;Z′ = 2) whereasβ‐Cs2(IO3)(I3O8) crystallises in monoclinic space groupP21/n(a= 12.733(1) Å;b= 7.437(1) Å;c= 14.359(2) Å;β= 106.98(1)°;V= 1300.4(2) Å3;Z= 4) and Rb2(I3O8)(IO3)(HIO3)2(H2O) in triclinic space groupP$\bar{1}$(a= 7.043(1) Å,b= 7.496(1) Å,c= 18.203(3) Å;α= 79.70(2)°;β= 85.04(2)°;γ= 70.66 (1)°;V= 891.8(2) Å3;Z= 2).β‐Cs2(IO3)(I3O8) and Rb2(I3O8)(IO3)(HIO3)2(H2O) reveal the presence of [I3O8]–anion. These compounds have already been characterised asβ‐Cs2I4O11and Rb2I6O15(OH)2·(H2O) for which the descriptions do not reflect the chemical structure. The previous descriptions are based on different choices for the I–O bonding character. In Rb2(I3O8)(IO3)(HIO3)2(H2O), the shortest I···O interaction (2.316(5) Å) observed between a [IO3–] anion and HIO3is in the same range of I–O bond length (2.201(4) Å) in the [I3O8]–anion. Bond valence calculations clearly show three classes of I–O interactions. Finally, DFT calculations coupled to the Electron Localisation Function analysis were performed to describe chemical schemes of these bonds, which justified our chemical description of the structures. The non‐centrosymmetricα‐Cs2(IO3)(I3O8) compound, revealed the presence of the infinite two‐dimensional [I3O8–]∞, which was obtained by condensation of iodate anions.
The Combination of 4‐Hydroxythiazoles with Azaheterocycles: Efficient Bidentate Ligands for Novel Ruthenium Complexes
Authors: Menzel Roberto , Täuscher Eric , Weiß Dieter , Beckert Rainer , Görls Helmar 
Published: March 2010

AbstractHerein the syntheses of three novel ligands, in which an azaheterocycle is connected with a thiazole subunit: 4‐methoxy‐5‐methyl‐2‐pyridine‐2‐yl‐1,3‐thiazole (1), 4‐methoxy‐5‐methyl‐2‐pyrimidine‐2‐yl‐1,3‐thiazole (2) and 4‐methoxy‐5‐phenyl‐2‐pyridine‐2‐yl‐1,3‐thiazole (3) are reported. Because these ligands are cyclic versions of 1,4‐diazadienes, they offer good prerequisites for the synthesis of metal complexes and were employed as chelating ligands. Three novel heteroleptic cationic complexes of the type Ru(bpy)2(L), with bpy = 2,2′‐bipyridine were successfully synthesised. The RuII complexes as well as the ligands were characterised by means of mass spectrometry, NMR, UV/Vis and IR spectroscopy and elemental analysis. Furthermore, an X‐ray structure of Ru(bpy)22(PF6), as far as we know the first example where a thiazole is directly connected to a RuII core, is presented in this paper.
Synthesis and Approximated Crystal and Electronic Structure of a Proposed New Tantalum Oxide Nitride Ta3O6N
Authors: Nakhal Suliman , Lumey Marck‐Willem , Bredow Thomas , Dronskowski Richard , Lerch Martin 
Published: March 2010

AbstractIn the quasibinary system Ta2O5/Ta3N5 we prepared a new oxide nitride phase, Ta3O6N, by the reaction of 1T–TaS2 with water‐saturated ammonia gas. The determination of the unit cell metric and the crystal structure indicated that Ta3O6N is structurally related to the TiNb2O7‐type. Quantum‐chemical calculations on DFT level were used to rank the relative stabilities of possible N/O distributions and to provide a plausible structural model of the ground state with a minimum in the total energy. In agreement with Paulings 2nd rule, nitrogen ions prefer sites with high coordination numbers.
Nitrides with Inverse K2[NiF4] Structure: (R1–xCa3+xN1–x/3)Bi2 with R = Rare‐Earth Metal
Authors: Gäbler Frank , Bräunling Daniel , Senyshyn Anatoliy , Schnelle Walter , Niewa Rainer 
Published: March 2010

AbstractThe novel nitrides (R1–xCa3+xN1–x/3)Bi2 (with R = La, Ce, Pr) crystallize in the K2[NiF4] structure type (I4/mmm, No. 139, Z = 2). Samples (La1–xCa3+xN1–x/3)Bi2 with x = 0.10, 0.05, 0.00, (Ce1–xCa3+xN1–x/3)Bi2 with x = 0.30, and (PrCa3N)Bi2 were obtained as single phase microcrystalline powders according to X‐ray diffraction and the crystal structure details were derived from Rietveld refinements based on X‐ray and neutron diffraction powder patterns. A partial order of R3+/Ca2+ on two crystallographic sites is governed by different ionic radii and charges. (La1–xCa3+xN1–x/3)Bi2 and (Ce1–xCa3+xN1–x/3)Bi2 exhibit small homogeneity ranges and typically a nitrogen deficiency. In contrast, for (PrCa3N)Bi2 no indications for a significant homogeneity range or deficiency of nitrogen was observed. (La1–xCa3+xN1–x/3)Bi2 with x = 0.05 is a diamagnet. X‐ray absorption spectroscopy at the CeL3‐edge as well as magnetic susceptibility measurements evidence that (Ce1–xCa3+xN1–x/3)Bi2 with x = 0.30 contains Ce3+ in the 4f1 configuration. According to electrical resistivity data, samples from all three systems are heavily doped semiconductors.
A Study on AB2O6 Compounds: Part I, Synthesis, Structure, Magnetic Properties and 151Eu Mössbauer Spectroscopic Data of EuNb2O6
Authors: Beck Horst P. , Seup‐Ra Hyun , Haberkorn Robert , Kohlmann Holger , Eul Matthias , Harmening Thomas , Pöttgen Rainer 
Published: March 2010

AbstractThe synthesis and crystal structure of EuNb2O6 is reported. The compound is isotypic with SrNb2O6 and crystallizes with the space group P21/c and lattice parameters a = 7.7050(1) Å, b = 5.5781(1) Å, c = 11.0032(1) Å and β = 90.35(1)°. Susceptibility measurements show no magnetic ordering down to the lowest measured temperature of 3 K. 151Eu Mössbauer spectra clearly indicate divalent europium only.
Synthesis, Crystal Structure and Lithium Motion of Li8SeN2 and Li8TeN2
Authors: Bräunling Daniel , Pecher Oliver , Trots Dmytro M. , Senyshyn Anatoliy , Zherebtsov Dmitry A. , Haarmann Frank , Niewa Rainer 
Published: March 2010

AbstractThe compounds Li8EN2 with E = Se, Te were obtained in form of orange microcrystalline powders from reactions of Li2E with Li3N. Single crystal growth of Li8SeN2 additionally succeeded from excess lithium. The crystal structures were refined using single‐crystal X‐ray diffraction as well as X‐ray and neutron powder diffraction data (I41md, No. 109, Z = 4, Se: a = 7.048(1) Å, c = 9.995(1) Å, Te: a = 7.217(1) Å, c = 10.284(1) Å). Both compounds crystallize as isotypes with an anionic substructure motif known from cubic Laves phases and lithium distributed over four crystallographic sites in the void space of the anionic framework. Neutron powder diffraction pattern recorded in the temperature range from 3 K to 300 K and X‐ray diffraction patterns using synchrotron radiation taken from 300 K to 1000 K reveal the structural stability of both compounds in the studied temperature range until decomposition. Motional processes of lithium atoms in the title compounds were revealed by temperature dependent NMR spectroscopic investigations. Those are indicated by significant changes of the 7Li NMR signals. Lithium motion starts for Li8SeN2 above 150 K whereas it is already present in Li8TeN2 at this temperature. Quantum mechanical calculations of NMR spectroscopic parameters reveal clearly different environments of the lithium atoms determined by the electric field gradient, which are sensitive to the anisotropy of charge distribution at the nuclear sites. With respect to an increasing coordination number according to 2 + 1, 3, 3 + 1, and 4 for Li(3), Li(4), Li(2), and Li(1), respectively, the values of the electric field gradients decrease. Different environments of lithium predicted by quantum mechanical calculations are confirmed by 7Li NMR frequency sweep experiments at low temperatures.
Reaktionen des metalloiden Clusteranions {Ge9[Si(SiMe3)3]3}– in der Gasphase. Oxidations‐ und Reduktionsschritte geben Einblicke in den Bereich zwischen metalloiden Clustern und Zintl‐Ionen
Authors: Schenk Christian , Henke Florian , Neumaier Marco , Olzmann Matthias , Schnöckel Hansgeorg , Schnepf Andreas 
Published: March 2010

AbstractThe cluster anion {Ge9[Si(SiMe3)3]3}– (1) is transferred intact into the gas phase via the electro spray method. Subsequently the fragmentation of 1 after resonant excitation as well as the oxidation reaction with O2 and Cl2 are investigated in an FT‐ICR mass spectrometer (Fourier Transform Ion Cyclotron Resonance). Unlike former results with off‐resonant excitation the fragmentation leads mainly to the end‐product Ge9–. Moreover, applying an on‐resonant excitation the dissociation experiment can be quantified; 2.0 ± 0.15 eV (193 ± 15kJ·mol–1) for the elimination of the first two ligands and 2.7 ± 0.15 eV (261 ± 15 kJ·mol–1) for all ligands, respectively. Particular attention is turned on the first step, where sterically encumbered Si2(SiMe3)6 molecules are formed in a concerted reaction. This result, which is also important for elemental reactions on metal surfaces in catalyses, is based on experimentally determined threshold energies, DFT calculations and calculations on the lifetime of the involved species., In contrast to the high reactivity of crystalline 1·Li(THF)4, gaseous 1 is inert against oxygen. The analogy to recently published spin forbidden reactions of Al13– with O2 hints to a general importance of spin conversion during gas phase reactions of larger cluster molecules. The oxidation of 1 with Cl2 proceeds through different reaction channels. DFT calculations give a first insight on the complex primary oxidation steps. These calculations also reveal that the delocalized bonding situation in the Ge9 core is distorted upon oxidation. This result together with the dissociation experiments shed more light on differences and similarities between metalloid clusters and Zintl ions.
Synthesis, Crystal and Electronic Structure of the Nitridoaluminosilicate Ca5[Si2Al2N8]
Authors: Ottinger Frank , Cuervo‐Reyes Eduardo , Nesper Reinhard 
Published: March 2010

AbstractCa5[Si2Al2N8] was synthesized from elementary aluminum and silicon with phase‐pure tricalcium dinitride at 1280 K under dry argon in a sealed niobium ampoule. Ca3N2 was freshly prepared from distilled calcium metal in a dry nitrogen atmosphere. The compound crystallizes in form of transparent yellow distorted octahedra. In air and under moisture Ca5[Si2Al2N8] undergoes hydrolysis. The structure was determined from a single crystal to be orthorhombic (space group Pbcn – no. 60, a = 925.5, b = 614.0 and c = 1557.8 pm). The nitridoaluminate and ‐silicate substructures are separated into planes of edge and corner‐shared aluminate tetrahedra, which are linked by edge‐sharing double tetrahedral pillars of the silicate. The structure was confirmed by electrostatic and quantum mechanical analysis.
Risk factors for major morbidity after hepatectomy for hepatocellular carcinoma in 293 recent cases
Authors: Sadamori Hiroshi , Yagi Takahito , Matsuda Hiroaki , Shinoura Susumu , Umeda Yuzo , Yoshida Ryuichi , Satoh Daisuke , Utsumi Takasi , Ohnishi Teppei 
Published: March 2010

AbstractBackground/PurposeThe purpose of this study was to identify risk factors for major morbidity after hepatectomies for hepatocellular carcinoma (HCC).MethodsUnivariate and multivariate analyses of risk factors for major morbidity were performed in 293 patients who underwent hepatectomy for HCC between 2001 and 2008.ResultsTwo hundred and forty‐three patients (82.9%) underwent an anatomic hepatectomy, and a repeat hepatectomy was performed in 50 patients (17.1%). The prevalences of bile leakage and intraabdominal abscess were 12.9% and 9.2%, respectively. The risk factor for bile leakage was an operative time ≥ 300 min and the risk factor for intraabdominal abscess was a repeat hepatectomy (odds ratios = 4.9 and 5.3, respectively). The main cause of bile leakage that made endoscopic therapy or percutaneous transhepatic biliary drainage necessary was a latent stricture of the biliary anatomy that had existed preoperatively, caused by previous treatments for HCC. Methicillin‐resistantStaphylococcus aureus was the main causative bacteria of intraabdominal abscess after repeat hepatectomies.ConclusionsOur recent series revealed that prolonged operative time and repeat hepatectomy were independent risk factors for bile leakage and intraabdominal abscess, respectively, after hepatectomies for HCC. Preoperative assessment of the biliary anatomy should be considered for patients who have had previous multiple treatments for HCC, including hepatectomy, to reduce bile leakage that makes invasive treatment necessary.