In order to overcome the low utilization ratio of solar light and high electron-hole pair recombination rate of TiO2, the triangular Ag nanoparticle island is covered on the surface of the TiO2 thin film. Enhancement of the photocatalytic activity of the Ag/TiO2 nanocomposite system is observed. The increase of electron-hole pair generation is caused by the enhanced near-field amplitudes of loc...

Electron-pair uncertainty relationships of generalized Heisenberg type in quantum mechanics are formulated. They express restrictions imposed by quantum theory on the electron-pair intracule (relative motion) and extracule (centre-of-mass motion) densities in the two complementary spaces by means of the corresponding statistical moments. These relations are shown to reduce to an elementary or H...

We consider a plasma consisting of particle components with different temperatures. The components are uniformly distributed in the configuration space and MAXwELiian in the velocity space. Pair correlations are assumed to be small and higher order correlations negligible. It is shown from the BBGKY-hierarchy that the influence of the electrons on the ion kinetics can be taken into account by t...

Atomic Fukui indices, which are obtained from the electron density, have been previously shown to be useful in predicting which atoms in a molecule are most likely to suffer nucleophilic, electrophilic, or radicalary attacks. Here, we present a second-order generalization of these indices based on the electron pair density. We show how second-order atomic Fukui indices can be used to analyze th...

Electron transfer in collisions between Rydberg atoms and targets that attach free low-energy electrons can lead to the formation of heavy-Rydberg ion-pair states comprising a positive-negative ion pair that orbit each other at large separations weakly bound by their mutual electrostatic attraction. It is shown that measurements of the velocity distribution of the ion-pair states produced in su...

dft-gga method of perdew-burke-ernzerhof (pbe) is used with aug-cc-pvtz, 6-311++g**, and def2-tzvp large basis sets to study the hydrogen bond interactions between oxygen lone pair as a donor electron with hydrogen atom connected to the aniline’s nitrogen as an electron acceptor (h2o···hnh-ph), and nitrogen lone pair with hydrogen of water molecule (ph-h2n···hoh), both in the gas phase. in some...