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P‐doped random C 20 fullerite – model structure for fullerene‐like CP x
Author(s) -
Czigány Zsolt
Publication year - 2013
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201248366
Subject(s) - fullerene , high resolution transmission electron microscopy , amorphous solid , electron diffraction , materials science , crystallography , diffraction , selected area diffraction , doping , cluster (spacecraft) , amorphous carbon , transmission electron microscopy , nanotechnology , chemistry , physics , optics , optoelectronics , organic chemistry , programming language , computer science
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 0.1 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 C 20 clusters resembling a kind of amorphous fullerite (crystals of fullerene cages). The 10% P doping was implemented by creating C 18 P 2 cages by replacing two C atoms by P in the C 20 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 0.1 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 C 20 fullerite (right) and its calculated electron diffraction (left) for different average cluster size (expressed in number of atoms).