P doped random C20 fullerite - model structure for fullerene-like CPx

Czigány, Zsolt (2013) P doped random C20 fullerite - model structure for fullerene-like CPx. Phys. Stat. Sol. B., 250 (2). pp. 334-337. ISSN 1521-3951

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Abstract

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 5.9A. Simulation of HRTEM images confirmed the amorphous appearance of this nanostructured material.

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