engleski

X-rays spectra of nanodiamonds: density functional theory

Nanodiamonds are found in meteorites and they are also synthesized in laboratories. Formation of diamonds at planetary interior conditions was confirmed in Neptune, Uranus and exoplanets. Nanodiamonds were detected around some stars using infrared telescopes. They also exist in the interstellar medium. Using density functional theory methods we calculate the K-edge X-ray absorption spectra of two larger tetrahedral nanodiamonds: C26H32 and C51H52. We also study and test our methods on methane, a smallest C-H tetrahedral structure for which X-rays laboratory data are available. We consider detection of nanodiamonds by the Arcus, a proposed X-ray telescope.

nanodiamonds ; X-rays spectra ; density functional theory

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