The Li 1s XPS (X-ray Photoelectron Spectroscopy) spectra of LiMn2O4, which is one of the major positive-electrode materials in lithium-ion rechargeable batteries, and MnO2 as a reference material, were measured by a laboratory-type XPS spectrometer. The Li 1s peak was not observed in the spectra excited by the Mg Kalpha line (1253.6 eV), because the Li 1s peak overlapped the background of the Mn 3p peak of LiMn2O4. The photoionization cross section of Mn 3p was larger than that of Li 1s for Mg Kalpha excitation. Therefore, the XPS measurement of LiMn2O4 by soft X-ray synchrotron excitation was carried out at beamline BL-7B on NewSUBARU synchrotron facility. Excitation energies of 110, 120, 130, 140, 150 and 151.4 eV were selected. The Li 1s peak was clearly observed in these XPS spectra. In order to investigate the excitation energy dependence, the area ratio of the Li 1s and Mn 3p peaks in the XPS spectra was plotted against the excitation energy. As a result, when the excitation energy was 110 eV, the area ratio had the maximum value.
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http://dx.doi.org/10.2116/analsci.21.779 | DOI Listing |
Sci Rep
January 2025
Laser Research Center, Vilnius University, Saulėtekio Avenue 10, LT-10223, Vilnius, Lithuania.
We present a comparative experimental study of supercontinuum generation in undoped scintillator crystals: bismuth germanate (BGO), yttrium orthosilicate (YSO), lutetium oxyorthosilicate (LSO), lutetium yttrium oxyorthosilicate (LYSO) and gadolinium gallium garnet (GGG), pumped by 180 fs fundamental harmonic pulses of an amplified Yb:KGW laser. In addition to these materials, experiments in yttrium aluminium garnet (YAG), potassium gadolinium tungstate (KGW) and lithium tantalate (LT) were performed under identical experimental settings (focusing geometry and sample thickness), which served for straightforward comparison of supercontinuum generation performances. The threshold and optimal (that produces optimized red-shifted spectral extent) pump pulse energies for supercontinuum generation were evaluated from detailed measurements of spectral broadening dynamics.
View Article and Find Full Text PDFNat Commun
January 2025
Institute for Materials Science, University of Stuttgart, D-70569, Stuttgart, Germany.
The knowledge of diffusion mechanisms in materials is crucial for predicting their high-temperature performance and stability, yet accurately capturing the underlying physics like thermal effects remains challenging. In particular, the origin of the experimentally observed non-Arrhenius diffusion behavior has remained elusive, largely due to the lack of effective computational tools. Here we propose an efficient ab initio framework to compute the Gibbs energy of the transition state in vacancy-mediated diffusion including the relevant thermal excitations at the density-functional-theory level.
View Article and Find Full Text PDFAppl Radiat Isot
December 2024
Department of Medical Physics University of Wisconsin School of Medicine and Public Health, Madison, WI, 53705, USA. Electronic address:
This work reports experimental Ge(d,n)As cross sections producing Arsenic-71 (t = 65.3 h, 28% β), a potentially useful diagnostic radionuclide. Target stacks containing two Ge foils, a Ni monitor foil, and an Al degrader were irradiated with 5.
View Article and Find Full Text PDFNat Commun
January 2025
Department of Chemistry, KAIST, Daejeon, Republic of Korea.
Despite its profound significance, the molecular structural changes near the transition state, driven by the vibronic coupling, have remained largely unexplored, leaving a crucial aspect of chemical reactions shrouded in uncertainty. Herein, the dynamical behavior of the reactive flux on the verge of chemical bond breakage was revealed through the spectroscopic characterization of a large amplitude vibrational motion. Highly excited internal rotor states of S methylamine (CHND) report on the structural change as the molecule approaches the transition state, indicating that the quasi-free internal rotation is strongly coupled to the reaction coordinate as their energies near the maximum of the reaction barrier for the N-D chemical bond predissociation.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
HUN-REN Wigner Research Centre for Physics, P.O. Box 49, H-1525 Budapest, Hungary.
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