Nanostructurization in the SKS Active Carbon, Characterized by Sem, Tem, Edx and Quantum-Chemical Simulations

Abstract

SKS active carbon, prepared by dehydrogenation of the polystyrene–divinylbenzene copolymer, as a model sample of highly amorphous carbons, has been examined by scanning electron microscopy, transmission electron microscopy, and energy dispersive X-ray methods, indicating a nanostructural nonperiodic character of the resulting product. No crystalline-like particles are experimentally found in the bulk. The PSDVB copolymer dehydrogenation has been quantum chemically (QC) simulated to describe the interconnecting amorphous phase. A set of clusters with a different degree of carbonization has been QC evaluated. The first level model of the amorphous active carbon has been proposed.

High multiplicity states in disordered carbon systems: Ab initio and semiempirical study

“…The spatial structures of 11 carbonized PSDVB clusters, optimized in 1 S state [9] (snapshot of cluster #7 is given on Fig. 1), have been used as starting geometries for the QC simulation in non-zero S z states.…”

“…Spatial structures of carbonic clusters, previously reported in [9], have been used for a quantum chemical (QC) simulation. Those clusters refer to the different levels of carbonization of the polystyrene-divinylbenzene (PSDVB) copolymer [10,11], and give a good example of amorphous (spatially disordered) systems with different content of carbon (from 66 to 100 at.%).…”

Characterization by SEM, TEM and Quantum-Chemical Simulations of the Spherical Carbon with Nitrogen (SCN) Active Carbon Produced by Thermal Decomposition of Poly(vinylpyridine-divinylbenzene) Copolymer

“…It should be pointed as a general conclusion that the differences in structural features between SKS [19] and SCN are minor and may be neglected to some extent. Hence, N-doping of the amorphous domain of ACs seems not to alter the structure.…”

“…Acid/base, red/ox and sorption properties are more pronounced for the SCN AC, presumably due to the effect of N-doping [ 1 , 16 , 17 , 18 ]. In order to explain their origin one needs to characterize the macroscopic properties and to evaluate an atomic level model of the SCN AC, comparing them with previously described SKS-type ones [ 19 ].…”

“…Electronic microscopy methods provide an opportunity to directly examine the microstructure of complex objects. These techniques were widely used for characterization of CMs earlier [ 1 , 2 , 19 ], so the SCN AC was studied in the current paper by SEM and TEM. However, instrumental characterization of the SCN nanostructure on atomic level is problematic, so indirect ways should also be used.…”