C+60 and C 2+ 60 ions are scattered under grazing incidence from an atomically clean and flat Be(0001) surface at keV energies. Distances for electron transfer are deduced from shifts of angular distributions for incident C+60 and C 2+ 60 projectiles, which reflect changes in the interaction potentials at the instants of electron transfers. These distances are consistent with classical over-the...

This paper describes synthesis of In2S3 nanoparticles by sonochemistry method and their application to enhance solar cells performance which In2S3 nanoparticles work as co-sensitizer for the first time. In2S3 is a narrow band gap semiconductor (2 eV) with conduction band higher than TiO2. Therefore it can transfer electron to the conduction band of TiO2. The effect of different parameters such ...

The study of the nanometer-scale vacancy defects (nanopores) in graphene by transmission electron microscopy (TEM) is severely hindered presence polymeric residues originating from graphene-transfer-step to TEM grid. state-of-the-art transfer strategies yield contamination-free pristine specimens but do not work well for nanoporous graphene. This because relatively high energy vacant nanopores ...

Using molecular mechanics force field partial atomic charges, we show the nonuniqueness of the parametrization of continuum electrostatics models with respect to solute atomic radii and interior dielectric constant based on hydration (vacuum-to-water transfer) free energy data available for small molecules. Moreover, parameter sets that are optimal and equivalent for hydration free energy calcu...

The influence of electron donors and electron acceptors of variable strength in the 4 and 4' position of 2 and 2' propyl-bridged axial chiral biphenyl cyclophanes on their atropisomerization process was studied. Estimated free energies ΔG(‡)(T) of the rotation around the central biphenyl bond which were obtained from (1)H-NMR coalescence measurements were correlated to the Hammett parameters σ(...

proton transfer (pt) and methyl group transfer (mgt) occurring in small biomimetic systems, formamide-formamidic acid (fa-fi), and n-formyl-n-methylformamide-(e)-methyl n-formylformimidate (nmfa-nmfi) are investigated in the gas phase and in single-walled carbon nanotubes by using the density functional theory and the oniom approach. it is shown that pt reaction is disfavoured in single-walled ...

stability of the ;-; stacking interactions in the substituted-coronene||cyclooctatetraene complexes wasstudied using the computational quantum chemistry methods (where || denotes ;–; stackinginteraction, and substituted-coronene is coronene which substituted with four similar x groups; x =oh, sh, h, f, cn, and no). there are meaningful correlations between changes of geometricalparameters and t...

Activation energies for energy and electron transfer have been measured in various systems on silica gel. In the case of ion-electron recombination, a facile technique involving fluorescence recovery is described which complements diffuse reflectance spectroscopy in the study of these systems. In bimolecular anthracene/azulene systems, activation energies have been shown to be independent of pr...