In this work, two different classes of polyaromatic hydrocarbon (PAH) systems have been investigated in order to characterize the amount of polyradical character and to localize the specific regions of chemical reactivity: (a) the non-Kekulé triangular structures phenalenyl, triangulene and a π-extended triangulene system with high-spin ground state and (b) PAHs based on zethrenes, p-quinodimet...

TiO2 semiconducting nanoparticles are known to be photocatalysts of moderate activity due to their high band-gap and high rate of electron-hole recombination. The formation of a shell of carbon around the core of TiO2, i.e., the formation of TiO2@C nanoparticles, is believed to partly alleviate these problems. It is usually achieved by a hydrothermal treatment in a presence of a sugar derivativ...

Many narrow band-gap semiconductors cannot fulfil the energetic requirements for water splitting, thus the assistance of large external voltages to complete the water decomposition reaction is required. Through thermal decomposition of Fe(NO3)3 on n-Si nanowires prepared by the chemical etching method, we fabricated a high-performance n-Si/α-Fe2O3 core/shell nanowire array photoanode that exhib...

We calculate the unpolarized and polarized three–loop anomalous dimensions splitting functions PNS+,PNS? PNSs in QCD MS? scheme by using traditional method of space–like off shell massless operator matrix elements. This is a gauge–dependent framework. For first time we also PNS±,tr for transversity directly. compare our results to literature.

This article introduces a second-order direction splitting method for solving the incompressible Navier–Stokes–Boussinesq system in spherical shell region. The equations are solved on overset Yin–Yang grids, combined with coordinate transforms. approach allows to avoid singularities at poles and keeps grid size relatively uniform. downside is that subdivided into two equally sized, overlapping ...

The use of palm kernel shell (PKS) has gained acceptance in the production concrete. Compressive strength is mostly used characteristics compressive CS concrete should provide a good basis for predicting splitting tensile STS. aim this study to establish mathematical relationship between and STS produced with PKS. In study, coarse aggregates was fully replaced PKS at varying water-cement ratios...

Recently, colored H-doped TiO2 (H-TiO2) has demonstrated enhanced photoelectrochemical (PEC) performance due to its unique crystalline core-disordered shell nanostructures and consequent enhanced conduction behaviors between the core-shell homo-interfaces. Although various hydrogenation approaches to obtain H-TiO2 have been developed, such as high temperature hydrogen furnace tube annealing, hi...

In this study, the Cr2O3/[email protected]2 composite was synthesized via calcination of yolk–shell [email protected]2. The presented core–shell structure, where Cr-doped TiO2 and Cr2O3/C were shell core, respectively. introduction Cr3+ Cr2O3/C, which derived from MIL-101, in enhanced its visible light absorbing ability lowered recombination rate photogenerated electrons holes. large surface ar...

We propose a simulation study in order to evaluate the effects of concentration polarization damping by splitting a single spiral-wound membrane module in two units connected in series inside the same shell. The reverse osmosis process in each unit is described by the advection-diffusion equation in two dimensions which is solved by a finite difference technique. Several feed regimes and operat...