EtOH induced formation of nanographite fractions and their reorganization on nanostructured CeO2 films

Multiwalled carbon nanotubes (MWCNTs) were etched by EtOH treating. Such treated MWCNTs were deposited from solution phase onto the nanostructured CeO2 films. High resolution images by both transmission and scanning electron microscopy showed that the nanographite fractions are existed in the solution and they were also reorganized on the surface. On the nanostructured surface of specific morphology, the nanographite fractions are deposited into the valleys between the CeO2 islands and therefore a selective pattern of nanographite was formed. Molecular dynamics calculations highlighted that adsorption and reorganization properties of the nanographite layers have considerable dependence on the morphology of CeO2 nanostructures. (C) 2012 Elsevier B.V. All rights reserved.Chinese-Hungarian Intergovernmental S&T Cooperation Programme [CH-5-21/2010, TET_10-1-2011-0126]; National Natural Science Foundation of China [91121012, 51172029, 50772015, 10974019]; Fundamental Research Funds for the Central Universities of China; Developing Competitiveness of Universities in the South Transdanubian Region [SROP-4.2.1.B-10/2/KONV-2010-0002]; Laboratory of Organic Optoelectronic Functional Materials and Molecular Engineering, TIPC, CA

Ethanol induced formation of graphene fractions suspended in acetonitrile

Chinese-Hungarian Intergovernmental S&T Cooperation Programme [CH-5-21/2010, TET_10-1-2011-0126]; 973 Program of China [2012CB619301, 2013CB921701]; National Natural Science Foundation of China [51172029, 91121012, 11204254, 61227009, 90921002]; Fundamental Research Funds for the Central Universities of China; [TAMOP-4.2.2.A-11/1/KONV-2012-0065]Ethanol has etching effect on the side wall of multiwalled carbon nanotubes (MWCNTs). Under proper treating temperature and employing ultrasonic treatment, graphene fractions might form and suspend in acetonitrile due to the ethanol induced breaking down of the ektexine of the MWCNTs. High resolution images by transmission electron microscopy validated these processes. Furthermore, due to the requirements of industrial applications, entropy driven selective adsorption was successfully tested for separation of the graphene layers from the remained MWCNTs. (C) 2012 Elsevier Ltd. All rights reserved

Dissociation dynamics of host-guest interaction between substituted calix[4]- arene and 4-chloronitrobenzene

304-308<span style="font-size:9.0pt; mso-bidi-font-family:" times="" new="" roman""="" lang="EN-GB">The inclusion complexation of upper rim substituted calix[4]arene with neutral 4-chloronitrobenzene has been studied by quantum-chemical and spectrophotometric measurements. The effect of varying temperature on the formation versus dissociation of the host-guest complex has been investigated. The formation of stable host-guest complexes is determined using DFT/B3LYP/ 6-311G(d) level of theory. The π-π interaction based dissociation dynamics of the host-guest complex has been studied. In the host-guest interaction, a 1:1 complex stoichiometry is observed. The low activation energy of dissociation, obtained from the MD simulations, indicates that the complex formation equilibrium is thermodynamically controlled. </span

Some Unexpected Behavior of the Adsorption of Alkali Metal Ions onto the Graphene Surface under the Effect of External Electric Field

Hungarian research Project [TAMOP-4.2.2.A-11/1/KONV-2012-0065]; Chinese-Hungarian Intergovernmental S&T Cooperation Programme [CH-5-21/2010, TET_10-1-2011-0126, TET_12_CN-1-2012-0040]In this work the interaction between alkali metal ions and a graphene surface with the absence and the presence of an external electric field applied perpendicular to the surface was investigated. M05-2X/6-31G(d) DFT calculations were performed to describe the adsorption properties. Results show that the electric field pushes the positively charged ion closer to the graphene, where the charge transfer between the alkali metal cations and the electron rich graphene surface increases. At a species-dependent certain strength of the electric field, the excess electrons cause negative charge on the alkali metal ion. This effect will promote the removal of the ion from the surface