Resonant inelastic X-ray scattering in the XUV-regime has been implemented at BESSY II, pushing for a few-meV bandwidth in inelastic X-ray scattering at transition metal M-edges, rare earth N-edges and the K-edges of light elements up to carbon with full polarization control. The new dedicated low-energy beamline UE112-PGM1 has been designed to provide 1 µm vertical and 20 µm horizontal beam dimensions that serve together with sub-micrometre solid-state sample positioning as the source point for a high-resolution plane grating spectrometer and a high-transmission Rowland spectrometer for rapid overview spectra. The design and commissioning results of the beamline and high-resolution spectrometer are presented. Helium autoionization spectra demonstrate a resolving power of the beamline better than 10 000 at 64 eV with a 300 lines mm grating while the measured resolving power of the spectrometer in the relevant energy range is 3000 to 6000.
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http://dx.doi.org/10.1107/S1600577522003551 | DOI Listing |
J Chem Phys
December 2024
Laboratório de Espectroscopia Molecular, Departamento de Química Fundamental, Instituto de Química, Universidade de São Paulo, 05513-970 São Paulo, SP, Brazil.
Molecular dynamics (MD) simulation is used to study the intermolecular dynamics in the THz frequency range of the ionic liquid 1-ethyl-3-methylimidazolium bis(fluorosulfonyl)imide, [C2C1im][FSI]. Non-polarizable and polarizable models for classical MD simulation are compared using as quality criteria ab initio molecular dynamics (AIMD) and experimental data from far-infrared (FIR) spectroscopy and previously published data of inelastic x-ray scattering (IXS). According to data from IXS spectroscopy, incorporating polarization in the classical MD simulation has relatively little effect on the dispersion curve (excitation frequency vs wavevector) for longitudinal acoustic modes.
View Article and Find Full Text PDFJ Synchrotron Radiat
January 2025
Institute Methods and Instrumentation for Synchrotron Radiation Research, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Albert-Einstein-Straße 15, 12489 Berlin, Germany.
Resonant inelastic X-ray scattering (RIXS) is an ideal X-ray spectroscopy method to push the combination of energy and time resolutions to the Fourier transform ultimate limit, because it is unaffected by the core-hole lifetime energy broadening. Also, in pump-probe experiments the interaction time is made very short by the same core-hole lifetime. RIXS is very photon hungry so it takes great advantage from high-repetition-rate pulsed X-ray sources like the European XFEL.
View Article and Find Full Text PDFAdv Mater
December 2024
Department of Materials and Environmental Chemistry, Stockholm University, Stockholm, SE-106 91, Sweden.
Superinsulating nanofibrillar cellulose foams have the potential to replace fossil-based insulating materials, but the development is hampered by the moisture-dependent heat transport and the lack of direct measurements of phonon transport. Here, inelastic neutron scattering is used together with wide angle X-ray scattering (WAXS) and small angle neutron scattering to relate the moisture-dependent structural modifications to the vibrational dynamics and phonon transport and scattering of cellulose nanofibrils from wood and tunicate, and wood cellulose nanocrystals (W-CNC). The moisture interacted primarily with the disordered regions in nanocellulose, and WAXS showed that the crystallinity and coherence length increased as the moisture content increased.
View Article and Find Full Text PDFJ Phys Chem Lett
December 2024
Department of Chemistry, University of Washington, Seattle, Washington 98195, United States.
Proton transfer processes form the foundation of many chemical processes. In excited-state intramolecular proton transfer (ESIPT) processes, ultrafast proton transfer is impulsively initiated through light. Here, we explore time-dependent coupled atomic and electronic motions during and following ESIPT through computational time-resolved resonant inelastic X-ray scattering (RIXS).
View Article and Find Full Text PDFNano Lett
December 2024
School of Aerospace Engineering, Beijing Institute of Technology, Beijing 100081, China.
Lead halide perovskites are renowned for their exceptional optoelectronic properties but face concerns over lead toxicity and stability, which drives the exploration of lead-free perovskites, with CsAgBiBr standing out as a benchmark alternative. Understanding the structural dynamics and thermal transport properties of CsAgBiBr is crucial but remains an outstanding challenge due to the complex atomic fluctuations. Here, through diffuse scattering experiments and simulations, we uncover the underlying dynamic local structure in CsAgBiBr, showing a unique two-dimensional spatial correlation.
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