Density functional theory calculations of the non-resonant and resonant X-ray emission spectroscopy of carbon fullerenes and nanotubes
The non-resonant X-ray emission spectroscopy of fullerenes and carbon nanotubes is studied with density functional theory in conjunction with short-range corrected functionals. For C60 and C70 the X-ray emission spectra are insensitive to modest structural changes, and absorption onto the fullerene...
| Main Authors: | , , |
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| Format: | Article |
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Elsevier
2018
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| Subjects: | |
| Online Access: | https://eprints.nottingham.ac.uk/49855/ |