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Shaobo Cheng Vidushi Sharma Altug S. Poyraz Lijun Wu Xing Li Amy C. Marschilok Esther S. Takeuchi Kenneth J. Takeuchi Marivi Fernndez-Serra Yimei Zhu 《Chemical science》2020,11(19):4991
Tunneled metal oxides such as α-Mn8O16 (hollandite) have proven to be compelling candidates for charge-storage materials in high-density batteries. In particular, the tunnels can support one-dimensional chains of K+ ions (which act as structure-stabilizing dopants) and H2O molecules, as these chains are favored by strong H-bonds and electrostatic interactions. In this work, we examine the role of water molecules in enhancing the stability of K+-doped α-Mn8O16 (cryptomelane). The combined experimental and theoretical analyses show that for high enough concentrations of water and tunnel-ions, H2O displaces K+ ions from their natural binding sites. This displacement becomes energetically favorable due to the formation of K2+ dimers, thereby modifying the stoichiometric charge of the system. These findings have potentially significant technological implications for the consideration of cryptomelane as a Li+/Na+ battery electrode. Our work establishes the functional role of water in altering the energetics and structural properties of cryptomelane, an observation that has frequently been overlooked in previous studies.Water displaces potassium ions and initiates the formation of a homonuclear dimer ion (K2+) in the tunnels of hollandite. 相似文献
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Rafael R. del Río Castillo 《Communications in Mathematical Physics》1991,142(2):421-431
In this work we study the behavior of embedded eigenvalues of Sturm-Liouville problems in the half axis under local perturbations. When the derivative of the spectral function is strictly positive, we prove that the embedded eigenvalues either disappear or remain fixed. In this case we show that local perturbations cannot add eigenvalues in the continuous spectrum. If the condition on the spectral function is removed then a local perturbation can add infinitely many eigenvalues. 相似文献
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Consider a portfolio containing heterogeneous risks. The premiums of the policyholders might not cover the amount of the payments which an insurance company pays the policyholders. When setting the premium, this risk has to be taken into consideration. On the other hand the premium that the insured pays has to be fair. This fairness is measured by a function of the difference between the risk and the premium paid—we call this function a distance function. For a given small probability of insolvency, we find the premium for each class, such that the distance function is minimized. Next we formulate and solve the dual problem, which is minimizing the insolvency probability under the constraint that the distance function does not exceed a given level. This paper generalizes a previous paper [Zaks, Y., Frostig, E., Levikson, B., 2006. Optimal pricing of a heterogeneous portfolio for a given risk level. Astin Bull. 36 (1), 161–185] where only a square distance function was considered. 相似文献
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Björn Wängler Carmen Beck Esther Schirrmacher Frank Rösch Michael Eisenhut 《Tetrahedron letters》2006,47(33):5985-5988
The synthesis of tris-allyl-DOTA starting from cyclen and its application in the preparation of DOTA-peptide conjugates is reported. Clinically important conjugates such as DOTA-Tyr3-octreotide (DOTA-TOC), DOTA-Tyr3-octreotate (DOTA-TATE) as well as a DOTA-RGD peptide were synthesized in high yields with Fmoc solid phase peptide synthesis. The final, extremely reliable de-allylation was achieved on solid phase by different methods identifying morpholine/Pd(0) as the most suitable one obtaining all DOTA peptide conjugates in high yields. All DOTA-peptides were purified by reversed phase HPLC and structural identity was proved using MALDI-TOF mass spectrometry. 相似文献
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F.J. Olmo A. Quirantes A. Alcntara H. Lyamani L. Alados-Arboledas 《Journal of Quantitative Spectroscopy & Radiative Transfer》2006,100(1-3):305-314
There is experimental evidence that the non-sphericity of certain atmospheric particles can cause scattering properties different from those predicted by standard Mie theory. Numerous studies indicate the need to consider the presence of non-spherical particles in modeling the optical properties of atmospheric aerosols. On the other hand, natural aerosols show a great variety of shapes, making difficult a realistic choice of a particle shape (or shape mixture) model. In this paper, we test a parameterization of the particle shape in the retrieval of size distribution, phase function, single scattering albedo and asymmetry parameter from direct and sky-radiance measurements. For this purpose we have substituted the Kernel based on the Mie theory included in the model SKYRAD.PACK by one derived for non-spherical particles. The method is applied under different atmospheric conditions, including Saharan dust outbreak, polluted and local mineral episodes. We compare the results with those obtained by the well known spheroids algorithm used in the AERONET network. 相似文献