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201.
Stefan?DiethelmEmail author Joseph?Sfeir Frank?Clemens Jan?Van herle Daniel?Favrat 《Journal of Solid State Electrochemistry》2004,8(9):611-617
Dense planar and tubular oxygen separation membranes of La0.6Ca0.4Fe0.75Co0.25O3– were investigated as reactors for the partial oxidation (POX) of methane to syngas. Their permeation properties were measured in an air/argon
pO2 gradient as a function of temperature. At 900 °C, the oxygen flux through a 1.26-mm-thick membrane was 0.075 mol/cm2·s and through a 0.25-mm-thick tube, 0.24 mol/cm2·s.For the POX measurements, a catalyst was added to the membrane and methane was introduced on the argon side. This resulted in a gradual increase of the oxygen flux with increasing concentration of methane, reaching 2 mol/cm2·s at 900 °C with pure methane. For the planar reactor, the CO selectivity reached 99% and the CH4 conversion 75% at 918 °C with pure methane. For the tubular reactor, the CO selectivity and CH4 conversion were 83 and 99%, respectively, under the same conditions. After 1,400 h of operation in a tubular POX reactor, the membrane was examined revealing phase demixing and local decomposition.Presented at the OSSEP Workshop Ionic and Mixed Conductors: Methods and Processes, Aveiro, Portugal, 10–12 April 2003 相似文献
202.
Dietmar Rahner Stefan Machill Heike Schlörb Kerstin Siury Matthias Kloss Waldfried Plieth 《Journal of Solid State Electrochemistry》1998,2(2):78-84
An overview is given of intercalation materials for both the negative and the positive electrodes of lithium batteries, including
the results of our own research. As well as lithium metal as a negative electrode, we consider insertion materials based on
aluminium alloys. In the case of the positive electrode metal-oxides based on manganese, nickel and cobalt are discussed.
Received: 27 May 1997 / Accepted: 30 July 1997 相似文献
203.
Norbert Kuhn Stefan Stubenrauch
Roland Boese
Dieter Bl ser 《Journal of organometallic chemistry》1992,440(3):289-296The azacyclopentadienyl compounds (2,5-C4tBu2RHN)MCl3 (M = Ti, Zr, Hf; R = H, SiMe3) have been prepared as stable solids from the lithiated pyrroles and MCl4. The π-coordination of the azacyclopentadienyl ligands, as suggested from 13 C NMR data, has been confirmed for (2,5-C4tBu2H2N)TiCl3 by an X-ray diffraction study. 相似文献
204.
205.
Barron JA Glazier S Bernhard S Takada K Houston PL Abruña HD 《Inorganic chemistry》2003,42(5):1448-1455
The absorption and emission spectra, excited-state lifetimes, quantum yields, and electrochemical measurements have been obtained for a new series of chiral complexes based on three different chiral 2,2':6',2' '-terpyridine ligands, (-)-ctpy, (-)-[ctpy-x-ctpy], and (-)-[ctpy-b-ctpy], with one, two, or multiple Ru metal centers. The room-temperature absorption and emission maxima of [[((-)-ctpy)Ru]-(-)-[ctpy-b-ctpy]-[Ru((-)-ctpy)]](PF(6))(4) and ((-)-[ctpy-b-ctpy])-[[Ru((-)-[ctpy-b-ctpy])](PF(6))(2)](n) were shifted to lower energies and also exhibited significantly longer luminescence lifetimes when compared to [Ru((-)-ctpy)(2)](PF(6))(2), [[((-)-ctpy)Ru]-(-)-[ctpy-x-ctpy]-[Ru((-)-ctpy)]](PF(6))(4), and ((-)-[ctpy-x-ctpy])-[[Ru((-)-[ctpy-x-ctpy])](PF(6))(2)](n). In terms of their electrochemical behavior, all of the complexes studied exhibited one Ru-centered and two ligand-centered redox waves and the [[((-)-ctpy)Ru]-(-)-[ctpy-x-ctpy]-[Ru((-)-ctpy)]](PF(6))(4), ((-)-[ctpy-x-ctpy])-[[Ru((-)-[ctpy-x-ctpy])](PF(6))(2)](n), and ((-)-[ctpy-b-ctpy])-[[Ru((-)-[ctpy-b-ctpy])](PF(6))(2)](n)() complexes were found to electrodeposit upon ligand-based reduction. The difference between the formal potentials of the Ru-centered and the first ligand-centered (least negative) waves corresponded linearly with the changes in the observed emission energies. The shifts in energy are discussed using a particle-in-a-box model, and the luminescence lifetimes are discussed in terms of the structure of the excited-state manifold. 相似文献
206.
Panagiotis Kl. Barkoutsos Fotios Gkritsis Pauline J. Ollitrault Igor O. Sokolov Stefan Woerner Ivano Tavernelli 《Chemical science》2021,12(12):4345
The development of tailored materials for specific applications is an active field of research in chemistry, material science and drug discovery. The number of possible molecules obtainable from a set of atomic species grow exponentially with the size of the system, limiting the efficiency of classical sampling algorithms. On the other hand, quantum computers can provide an efficient solution to the sampling of the chemical compound space for the optimization of a given molecular property. In this work, we propose a quantum algorithm for addressing the material design problem with a favourable scaling. The core of this approach is the representation of the space of candidate structures as a linear superposition of all possible atomic compositions. The corresponding ‘alchemical’ Hamiltonian drives the optimization in both the atomic and electronic spaces leading to the selection of the best fitting molecule, which optimizes a given property of the system, e.g., the interaction with an external potential as in drug design. The quantum advantage resides in the efficient calculation of the electronic structure properties together with the sampling of the exponentially large chemical compound space. We demonstrate both in simulations and with IBM Quantum hardware the efficiency of our scheme and highlight the results in a few test cases. This preliminary study can serve as a basis for the development of further material design quantum algorithms for near-term quantum computers.‘Alchemical’ quantum algorithm for the simultaneous optimisation of chemical composition and electronic structure for material design. By exploiting quantum mechanical principles this approach will boost drug discovery in the near future. 相似文献
207.
208.
Let G be a finite group not necessarily abelian. We prove a multiplier theorem for a normal partial addition set in G (i.e. a partial addition set which is a union of conjugacy classes).The second author gratefully acknowledges the financial support by the CNR which made this work possible. 相似文献
209.
Stefan Gmuca 《Zeitschrift für Physik A Hadrons and Nuclei》1992,342(4):387-392
The results of the modern relativistic Dirac-Brueckner calculations of nuclear matter are parametrized in terms of the relativistic- mean-field theory with scalar and vector nonlinear selfinteractions. It is shown that the inclusion of the isoscalar vector-meson quartic selfinteraction is essential for obtaining a proper density dependence of the vector potential in the mean-field model. The obtained mean-field parameters represent a simple parametrization of effective interaction in nuclear matter. This interaction may be used in the mean-field studies of the structure of finite nuclei without the introduction of additional free parameters.This work was supported in part by the Grant Agency of the Slovak Academy of Sciences under Grant No. GA SAV-517/1991. 相似文献
210.
Wack H France S Hafez AM Drury WJ Weatherwax A Lectka T 《The Journal of organic chemistry》2004,69(13):4531-4533
We detail the synthesis of a new C(2)-symmetric bis(cyclophane) ligand system that can be thought of as electronically analogous to binol, but which possesses the added "third dimension" of cyclophane chirality. The ligand synthesis involves a spontaneous (but unexpected) atropisomerization to the desired product. We have employed this ligand to form a metal complex that is an effective cocatalyst for the highly enantio- and diastereoselective catalytic asymmetric synthesis of a beta-lactam. 相似文献