Stabilization of the cubic perovskite phase was demonstrated in the SrCo0.90_Fe0.10CrO3_0 oxide system at x 0.03. Oxygen permeability of SrCo(Fe, Cr)033 solid solutions was independent of chromium content at x =0.01-0.05. It was found that reducing ceramic grain size dimensions resulted in decreasing thermal expansion electrical conductivity, and oxygen permeability of SrCo(Fe, Cu)030 ceramic membranes. Oxygen transport through SrCo(Fe, M)03. ceramics was shown to be limited by both the bulk ionic conductivity and oxygen exchange currents. The limiting effect of the membrane permeate-side surface on the permeation was higher in comparison with that on the feed-side surface. IntraductionDense mixed ionic electronic conducting oxide membranes are of considerable interest for industrial processes such as oxygen separation, waste reduction and recovery, coal gasification, and selective oxidation of hydmcarbons.'9 The advan:age of mixed-conductive membranes lies in their infinite theoretical separation factor.'-3 For the oxidation processes, a promising feature is that the oxygen flux may alter the relative presence of different active oxygen species on the membrane surface, thereby providing higher selectivity for partial oxidation reactions.6-9 Moreover, it is possible to omit the preliminary step of purification of oxygen from air.2 Among the most promising groups of mixed conductors are the perovskitelike oxides having high ionic conductivity with a prevailing electronic conductivity.1012 Ceramic membranes of perovskite related oxide phases Sr(CoixFe,.)aOy (a = 1-20, x = 0-0.1) and La(Sr)Co(Fe)039 were used successfully in various extemal conditions.'1-'4 The highest oxygen permeation fluxes are characteristic of

In the current work, a series of bithiopheneimide (BTI)-based D-A copolymers were investigated based on the reported PDTSBTI (1) to screen excellent molecules toward organic photovoltaic (OPV) donor materials. It is found that the PCE based on the proposed derivative 4, where the silicon atom is replaced with vinyl and cyano groups on the DTS unit, shows a 70 percent improvement by Scharber diagrams compared with its prototype 1. Then, the charge transfer dynamics of 1/PC71BM and 4/PC71BM were investigated, including the intermolecular charge transfer (inter-CT) and recombination (inter-CR) rates. The theoretical data demonstrate that the ratio kinter-CT/kinter-CR of 4/PC71BM heterojunction is about 1 × 10(5) times higher than that of 1/PC71BM. These results clearly reveal that the designed donor molecule 4 will be a promising candidate for high-performance OPV device. We expect that this work from electron processing at the D/A interface may provide a theoretical guideline for further optimization and design of organic copolymer donor materials.

The interface characteristic is a crucial factor determining the power conversion efficiency of organic solar cells (OSCs). In this work, our aim is to conduct a comparative study on the interface characteristics between the very famous non-fullerene acceptor, ITIC, and a fullerene acceptor, PC71BM by combining molecular dynamics simulations with density functional theory. Based on some typical interface models of the acceptor ITIC or PC71BM and the donor PBDB-T selected from MD simulation, besides the evaluation of charge separation/recombination rates, the relative positions of Frenkel exciton (FE) states and the charge transfer states along with their oscillator strengths are also employed to estimate the charge separation abilities. The results show that, when compared with those for the PBDB-T/PC71BM interface, the CT states are more easily formed for the PBDB-T/ITIC interface by either the electron transfer from the FE state or direct excitation, indicating the better charge separation ability of the former. Moreover, the estimation of the charge separation efficiency manifests that although these two types of interfaces have similar charge recombination rates, the PBDB-T/ITIC interface possesses the larger charge separation rates than those of the PBDB-T/PC71BM interface. Therefore, the better match between PBDB-T and ITIC together with a larger charge separation efficiency at the interface are considered to be the reasons for the prominent performance of ITIC in OSCs.

Unprecedented Anderson-like alkoxo-polyoxovanadate [V6O6(OCH3)9(μ6-SO4)(COO)3](2-) polyanions can serve as 3-connected second building units (SBUs) that assemble with dicarboxylate or tricarboxylate ligands to form a new family of metal organic tetrahedrons of V4E6 and V4F4 type (V = vertex, E = edge, and F = face). To our knowledge, this alkoxo-polyoxovanadate-based SBU is the first ever reported.