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Sökning: WFRF:(Ho Phay)

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1.
  • Fouda, Adam, et al. (författare)
  • Influence of Selective Carbon 1s Excitation on Auger–Meitner Decay in the ESCA Molecule
  • 2024
  • Ingår i: Journal of Physical Chemistry Letters. - 1948-7185. ; 15:16, s. 4286-4293
  • Tidskriftsartikel (refereegranskat)abstract
    • Two-dimensional spectral mapping is used to visualize how resonant Auger–Meitner spectra are influenced by the site of the initial core–electron excitation and the symmetry of the core-excited state in the trifluoroethyl acetate molecule (ESCA). We observe a significant enhancement of electron yield for excitation of the COO 1s → π* and CF3 1s → σ* resonances unlike excitation at resonances involving the CH3 and CH2 sites. The CF3 1s → π* and CF3 1s → σ* resonance spectra are very different from each other, with the latter populating most valence states equally. Two complementary electronic structure calculations for the photoelectron cross section and Auger–Meitner intensity are shown to effectively reproduce the site- and state-selective nature of the resonant enhancement features. The site of the core–electron excitation and the respective final state hole locality increase the sensistivity of the photoelectron signal at specific functional group sites. This showcases resonant Auger–Meitner decay as a potentially powerful tool for selectively probing structural changes at specific functional group sites of polyatomic molecules.
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2.
  • Ho, Phay J., et al. (författare)
  • The role of transient resonances for ultra-fast imaging of single sucrose nanoclusters
  • 2020
  • Ingår i: Nature Communications. - : NATURE PUBLISHING GROUP. - 2041-1723. ; 11
  • Tidskriftsartikel (refereegranskat)abstract
    • Intense x-ray free-electron laser (XFEL) pulses hold great promise for imaging function in nanoscale and biological systems with atomic resolution. So far, however, the spatial resolution obtained from single shot experiments lags averaging static experiments. Here we report on a combined computational and experimental study about ultrafast diffractive imaging of sucrose clusters which are benchmark organic samples. Our theoretical model matches the experimental data from the water window to the keV x-ray regime. The large-scale dynamic scattering calculations reveal that transient phenomena driven by non-linear x-ray interaction are decisive for ultrafast imaging applications. Our study illuminates the complex interplay of the imaging process with the rapidly changing transient electronic structures in XFEL experiments and shows how computational models allow optimization of the parameters for ultrafast imaging experiments. X-ray free electron lasers provide high photon flux to explore single particle diffraction imaging of biological samples. Here the authors present dynamic electronic structure calculations and benchmark them to single-particle XFEL diffraction data of sucrose clusters to predict optimal single-shot imaging conditions.
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