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1.
Tanja Vidaković-Koch Tamara Miličić Luka A. Živković Hoon Seng Chan Ulrike Krewer Menka Petkovska 《Current Opinion in Electrochemistry》2021
The nonlinear frequency response analysis (NFRA) can be seen as an extension of electrochemical impedance spectroscopy. NFRA gives a full and detailed representation of the system response and can establish a connection between model parameters and the experimentally observed phenomena. In this article, different theoretical NFRA approaches and the most recent application examples are discussed. A simple electrochemical example is used to showcase the benefits and disadvantages of analyzing the system response by using different approaches. In addition, it was shown how to extract experimental harmonic values and analyze them. 相似文献
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Becker Otwin Leopold-Wildburger Ulrike 《Central European Journal of Operations Research》2020,28(2):425-440
Central European Journal of Operations Research - This paper combines work to use a decision support tool for sustainable economic development, while acknowledging interdependent dynamics of... 相似文献
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We consider a vertex model on the simple-quartic lattice defined by line graphs on the lattice for which there is always an odd number of lines incident at a vertex. This is the odd 8-vertex model which has eight possible vertex configurations. We establish that the odd 8-vertex model is equivalent to a staggered8-vertex model. Using this equivalence we deduce the solution of the odd8-vertex model when the weights satisfy a free-fermion condition. It is found that the free-fermion model exhibits no phase transitions in the regime of positive vertex weights. We also establish the complete equivalence of the free-fermion odd 8-vertex model with the free-fermion 8-vertex model solved by Fan and Wu. Our analysis leads to several Ising model representations of thefree-fermion model with pure 2-spin interactions. 相似文献
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W. Potzel J. Moser Ulrike Potzel F. J. Litterst G. M. Kalvius J. Gal M. Boge J. Chappert J. Spirlet 《Hyperfine Interactions》1987,34(1-4):391-405
Due to the wider radial extent of 5f electrons when compared to their 4f counterparts, intermetallics of the light actinides show a broad spectrum of magnetic properties ranging from the localized magnetism of the lanthanides to the itinerant magnetism often found in transition metal compounds. One parameter which strongly influences the magnetic character of the compound is the actinide-actinide separation which can experimentally be varied by the application of high pressure. The question of 5f electron delocalization will be reviewed with respect to Moesshauer high pressure data on NpCo2si2, NpAl2, NpOs2 and new results will be presented of NpAs. The connection of hyperfine parameters with results of X-ray diffraction studies will be discussed.Work supported by the Bundesministerium für Forschung und Technologie, Federal Republic of Germany 相似文献
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Ab initio Hartree–Fock band structure and molecular calculations have been performed to study the electronic structure of LiN3 in a monoclinic C 2/m crystal structure. The total energy, band structure, density of states, and charge densities are computed. The calculated lattice energy (energy to separate the ions infinitely apart) of 8.6 eV agrees very well with 8.45 eV deduced from Madelung and London polarizability energies. The calculated split of the N 1s core bands of 5.0 eV compares favorably with the experimental X-ray photoelectron value of 4.4 eV. This good agreement is not contributed to crystalline environment effects as proposed in earlier MO studies of N where the best values obtained were 5.1, 5.8, and 6.3 eV, but to the quality of the nitrogen core basis set. The calculated valence density of states supports one of two competing interpretations that peak III observed in the X-ray photoelectron spectrum arises from contaminations or other extrinsic states. 相似文献
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W. Kunz J. Barthel L. Klein T. Cartailler P. Turq B. Reindl 《Journal of solution chemistry》1991,20(9):875-891
A variety of methods has been used for the study of lithium bromide solutions in acetonitrile yielding by their combination reliable information on different levels of approximation. Osmotic coefficients based on precise vapor pressure measurements are reproduced by CM (chemical model) and HNC (hypernetted chain) calculations and by BD (brownian dynamics) simulations. The results of neutron scattering experiments are treated with the help of HNC and BD methods. Hartree-Fock calculations on isolated LiBr pairs and solvated lithium ions yield reliable particle distances and reveal the geometry of the lithium solvation sphere. 相似文献