P‐doped random C20 fullerite – model structure for fullerene‐like CPx. Issue 2 (18th October 2012)

• Record Type: Journal Article
• Authors: Czigány, Zsolt
• Is Part Of: Physica status solidi. Volume 250:Issue 2(2013:Feb.)
• Page Start: 334
• Page End: 337
• Publication Date: 2012-10-18
• Subjects: Solid state physics -- Periodicals; Solids -- Periodicals; Atomic structure -- Periodicals; 530.41
• DOI: 10.1002/pssb.201248366
• Languages: English
• ISSNs: 0370-1972

Abstract

<abstract abstract-type="main" xml:lang="en"> <title>Abstract</title> <p>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‐CP<sub>0.1</sub> 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 C<sub>20</sub> clusters resembling a kind of amorphous fullerite (crystals of fullerene cages). The 10% P doping was implemented by creating C<sub>18</sub>P<sub>2</sub> cages by replacing two C atoms by P in the C<sub>20</sub> cage. The simulated electron scattering is in agreement with the experimental electron diffraction pattern and reproduces all the observed diffuse diffraction rings of FL‐CP<sub>0.1</sub> at ∼1.6, ∼2.6, and ∼5.9 Å. Simulation of HRTEM images confirmed the amorphous appearance of this nanostructured material. <boxed-text content-type="graphic" position="anchor" orientation="portrait"><graphic position="anchor" mimetype="image" xlink:href="ark:/27927/pgg1rw4krqd" orientation="portrait" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" /></boxed-text></p> <p>A cluster of P‐doped random close‐packed C<sub>20</sub> fullerite (right) and its calculated electron diffraction (left) for different average cluster size (expressed in number of atoms).</p> </abstract>