Analysis of the X-ray absorption fine structure near the TiL 2, 3 edge in free titanium nanoclusters |
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| Authors: | A. N. Kravtsova V. L. Mazalova G. E. Yalovega A. V. Soldatov R. L. Johnston |
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| Affiliation: | (1) Southern Federal University, ul. Bolshaya Sadovaya 105, Rostov-on-Don, 344006, Russia;(2) University of Birmingham, Edgbaston, Birmingham, B15 2TT, UK |
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| Abstract: | A theoretical analysis is made of the experimental TiL 2, 3 X-ray absorption near edge structure (XANES) spectra of free titanium nanoclusters containing 15–55 or 100–120 atoms. Good agreement between experimental and simulated data is obtained using the time-dependent local density approximation. |
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