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Growth of LiCoO2 Single Crystals by the TSFZ Method

2018, Nakamura, Shigenobu, Maljuk, Andrey, Maruyama, Yuki, Nagao, Masanori, Watauchi, Satoshi, Hayashi, Takeshi, Anzai, Yutaka, Furukawa, Yasunori, Ling, Chris D., Deng, Guochu, Avdeev, Maxim, Büchner, Bernd, Tanaka, Isao

We have grown LiCoO2 single crystals by the traveling solvent floating zone (TSFZ) growth with Li-rich solvent, having observed the incongruent melting behavior of LiCoO2 between 1100 and 1300 °C. The optimum growth conditions in terms of atmosphere and solvent composition were determined to be Ar flow and an atomic ratio Li/Co 85:15, respectively. The crystals grown using a conventional-mirror-type furnace contained periodic inclusions of a Co-O phase due to the influence of Co-O phase segregation on the stability of the molten zone during growth. By using a tilted-mirror FZ furnace, inclusion-free LiCoO2 crystals of about 5 mm in diameter and 70 mm long were obtained at a tilting angle Î = 10°. The grown crystals were confirmed to be single-domain by neutron Laue diffraction. © 2018 American Chemical Society.

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General Time-Dependent Configuration-Interaction Singles I: The Molecular Case

2022-10-10, Carlström, Stefanos, Spanner, Michael, Patchkovskii, Serguei

We present a grid-based implementation of the time-dependent configuration-interaction singles method suitable for computing the strong-field ionization of small gas-phase molecules. After outlining the general equations of motion used in our treatment of this method, we present example calculations of strong-field ionization of He, LiH, H2O, and C2H4 that demonstrate the utility of our implementation. The following paper [S. Carlström et al., following paper, Phys. Rev. A 106, 042806 (2022)] specializes to the case of spherical symmetry, which is applied to various atoms.

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High-rate amorphous SnO2 nanomembrane anodes for Li-ion batteries with a long cycling life

2014, Liu, Xianghong, Zhang, Jun, Si, Wenping, Xi, Lixia, Oswald, Steffen, Yan, Chenglin, Schmidt, Oliver G.

Amorphous SnO2 nanomembranes as anodes for lithium ion batteries demonstrate a long cycling life of 1000 cycles at 1600 mA g−1 with a high reversible capacity of 854 mA h g−1 and high rate capability up to 40 A g−1. The superior performance is because of the structural features of the amorphous SnO2 nanomembranes. The nanoscale thickness provides considerably reduced diffusion paths for Li+. The amorphous structure can accommodate the strain of lithiation/delithiation, especially during the initial lithiation. More importantly, the mechanical feature of deformation can buffer the strain of repeated lithiation/delithiation, thus putting off pulverization. In addition, the two-dimensional transport pathways in between nanomembranes make the pseudo-capacitance more prominent. The encouraging results demonstrate the significant potential of nanomembranes for high power batteries.