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Dr. Michael Peter Mercer Sam Affleck Dr. Edgardo Maximiliano Gavilán-Arriazu Dr. Alana Aragón Zülke Dr. Philip A. Maughan Shivam Trivedi Prof. Maximilian Fichtner Dr. Anji Reddy Munnangi Prof. Ezequiel P. M. Leiva Prof. Harry Ernst Hoster 《Chemphyschem》2022,23(5):e202100748
Sodium-ion batteries (NIBs) utilize cheaper materials than lithium-ion batteries (LIBs) and can thus be used in larger scale applications. The preferred anode material is hard carbon, because sodium cannot be inserted into graphite. We apply experimental entropy profiling (EP), where the cell temperature is changed under open circuit conditions. EP has been used to characterize LIBs; here, we demonstrate the first application of EP to any NIB material. The voltage versus sodiation fraction curves (voltage profiles) of hard carbon lack clear features, consisting only of a slope and a plateau, making it difficult to clarify the structural features of hard carbon that could optimize cell performance. We find additional features through EP that are masked in the voltage profiles. We fit lattice gas models of hard carbon sodiation to experimental EP and system enthalpy, obtaining: 1. a theoretical maximum capacity, 2. interlayer versus pore filled sodium with state of charge. 相似文献
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BIT Numerical Mathematics - In this article we address the problem of minimizing a strictly convex quadratic function using a novel iterative method. The new algorithm is based on the well-known... 相似文献
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Georgios Velkos Denis S. Krylov Kyle Kirkpatrick Lukas Spree Vasilii Dubrovin Bernd Büchner Stanislav M. Avdoshenko Valeriy Bezmelnitsyn Sean Davis Paul Faust James Duchamp Harry C. Dorn Alexey A. Popov 《Angewandte Chemie (International ed. in English)》2019,58(18):5891-5896
The azafullerene Tb2@C79N is found to be a single‐molecule magnet with a high 100‐s blocking temperature of magnetization of 24 K and large coercivity. Tb magnetic moments with an easy‐axis single‐ion magnetic anisotropy are strongly coupled by the unpaired spin of the single‐electron Tb?Tb bond. Relaxation of magnetization in Tb2@C79N below 15 K proceeds via quantum tunneling of magnetization with the characteristic time τQTM=16 462±1230 s. At higher temperature, relaxation follows the Orbach mechanism with a barrier of 757±4 K, corresponding to the excited states, in which one of the Tb spins is flipped. 相似文献
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Ein elektronenreiches cyclisches (Alkyl)(amino)carben auf Au(111)-, Ag(111)- und Cu(111)-Oberflächen
Anne Bakker Dr. Matthias Freitag Elena Kolodzeiski Peter Bellotti Dr. Alexander Timmer Dr. Jindong Ren Bertram Schulze Lammers Daniel Moock Prof. Dr. Herbert W. Roesky Dr. Harry Mönig Dr. Saeed Amirjalayer Prof. Dr. Harald Fuchs Prof. Dr. Frank Glorius 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(32):13745-13749
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Chaw-Keong Yong Patrick Parkinson Dmitry V. Kondratuk Wei-Hsin Chen Andrew Stannard Alex Summerfield Johannes K. Sprafke Melanie C. O'Sullivan Peter H. Beton Harry L. Anderson Laura M. Herz 《Chemical science》2015,6(1):181-189
Rings of chlorophyll molecules harvest sunlight remarkably efficiently during photosynthesis in purple bacteria. The key to their efficiency lies in their highly delocalized excited states that allow for ultrafast energy migration. Here we show that a family of synthetic nanorings mimic the ultrafast energy transfer and delocalization observed in nature. π-Conjugated nanorings with diameters of up to 10 nm, consisting of up to 24 porphyrin units, are found to exhibit excitation delocalization within the first 200 fs of light absorption. Transitions from the first singlet excited state of the circular nanorings are dipole-forbidden as a result of symmetry constraints, but these selection rules can be lifted through static and dynamic distortions of the rings. The increase in the radiative emission rate in the larger nanorings correlates with an increase in static disorder expected from Monte Carlo simulations. For highly symmetric rings, the radiative rate is found to increase with increasing temperature. Although this type of thermally activated superradiance has been theoretically predicted in circular chromophore arrays, it has not previously been observed in any natural or synthetic systems. As expected, the activation energy for emission increases when a nanoring is fixed in a circular conformation by coordination to a radial template. These nanorings offer extended chromophores with high excitation delocalization that is remarkably stable against thermally induced disorder. Such findings open new opportunities for exploring coherence effects in nanometer molecular rings and for implementing these biomimetic light-harvesters in man-made devices. 相似文献
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The paper studies coordination of a supply chain when the inventory is managed by the vendor (VMI). We also provide a general mathematical framework that can be used to analyze contracts under both retailer managed inventory (RMI) and VMI. Using a simple newsvendor scenario with a single vendor and single retailer, we study five popular coordinating supply chain contracts: buyback, quantity flexibility, quantity discount, sales rebate, and revenue sharing contracts. We analyze the ability of these contracts to coordinate the supply chain under VMI when the vendor freely decides the quantity. We find that even though all of them coordinate under RMI, quantity flexibility and sales rebate contracts do not generally coordinate under VMI. Furthermore, buyback and revenue sharing contracts are equivalent. Hence, we propose two new contracts which coordinate under VMI (one of which coordinates under RMI too, provided a well-known assumption holds). Finally, we extend our analysis to consider multiple independent retailers with the vendor incurring linear or convex production cost, and show that our results are qualitatively unchanged. 相似文献