2134/16931
Alexandra Siklitskaya
Alexandra
Siklitskaya
Sergey Yastrebov
Sergey
Yastrebov
Roger Smith
Roger
Smith
Variable step radial ordering in carbon onions
Loughborough University
2015
Nanodiamonds
Carbon onions
Density functional theory
Molecular dynamics
X-ray diffraction
High resolution transmission electron microscopy
Mathematical Sciences not elsewhere classified
2015-03-06 16:48:38
Journal contribution
https://repository.lboro.ac.uk/articles/journal_contribution/Variable_step_radial_ordering_in_carbon_onions/9386477
We analyse the radial distribution of atoms in carbon onions optimised using a combination of classical molecular dynamics and density functional theory. X-ray diffractograms of thermally annealed nanodiamonds are also exploited together with high-resolution transmission electron microscopy data published elsewhere. The internal radial ordering of atoms inside the onions was determined showing a gradual change of intershell separation as a function of radius. This change may result in a twisted internal structure of the onions. The influence of atomic defects appearing in the shells altering their curvature on the formation of twisted onions is discussed.