Atomic cluster calculation of the X-ray near-edge absorption of copper
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چکیده
منابع مشابه
Polarized X-ray Absorption near Edge Structure
Polarized measurements of oriented single crystals can be used to simplify the interpretation of X-ray absorption near edge structure (XANES) spectra by permitting a direct determination of the symmetry properties of a particular transition. We have utilized this technique to study the XANES spectra for several first-row transition metal complexes. Applications to the weak, ls+3d transition, to...
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Modeling x-ray absorption near edge structure (XANES) requires computationally intensive calculations. We show that parallel processing can reduce the time required for XANES calculations by a factor of up to 50 over standard desktop computers. Parallel processing is implemented in our codes using the Message Passing Interface (MPI) and is portable across most hardware and operating systems. We...
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We report the near-edge x-ray absorption fine-structure (NEXAFS) spectrum of a single layer of graphite (graphene) obtained by micromechanical cleavage of highly ordered pyrolytic graphite on a SiO2 substrate. We utilized a photoemission electron microscope to separately study single-, double-, and few-layers graphene samples. In single-layer graphene we observe a splitting of the pi resonance ...
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ژورنال
عنوان ژورنال: Radiation Physics and Chemistry
سال: 2006
ISSN: 0969-806X
DOI: 10.1016/j.radphyschem.2005.07.018