P-doped random C20 fullerite – model structure for fullerene-like CPx
Article first published online: 18 OCT 2012
Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
physica status solidi (b)
Volume 250, Issue 2, pages 334–337, February 2013
How to Cite
Czigány, Z. (2013), P-doped random C20 fullerite – model structure for fullerene-like CPx. Phys. Status Solidi B, 250: 334–337. doi: 10.1002/pssb.201248366
- Issue published online: 7 FEB 2013
- Article first published online: 18 OCT 2012
- Manuscript Accepted: 26 SEP 2012
- Manuscript Revised: 18 SEP 2012
- Manuscript Received: 8 JUN 2012
- electron diffraction;
Carbon-based amorphous and fullerene-like (FL) thin films have a great potential due to their mechanical resiliency. TEM investigation and interpretation of results from FL structures embedded in bulk phases is not straightforward. Here, a model is presented for description of the structure of FL-CP0.1 thin films and to describe all the rings in the electron diffraction pattern in a self-consistent way. The model structure consists of random close-packed and P-doped C20 clusters resembling a kind of amorphous fullerite (crystals of fullerene cages). The 10% P doping was implemented by creating C18P2 cages by replacing two C atoms by P in the C20 cage. The simulated electron scattering is in agreement with the experimental electron diffraction pattern and reproduces all the observed diffuse diffraction rings of FL-CP0.1 at ∼1.6, ∼2.6, and ∼5.9 Å. Simulation of HRTEM images confirmed the amorphous appearance of this nanostructured material.
A cluster of P-doped random close-packed C20 fullerite (right) and its calculated electron diffraction (left) for different average cluster size (expressed in number of atoms).