Membrane technology is an essential tool for water treatment and biomedical applications. Despite their extensive use in these fields, polymeric-based membranes still face several challenges, including instability, low mechanical strength, and propensity to fouling. The latter point has attracted the attention of numerous teams worldwide developing antifouling materials for membranes and interfaces. A convenient method to prepare antifouling membranes is via physical blending (or simply blending), which is a one-step method that consists of mixing the main matrix polymer and the antifouling material prior to casting and film formation by a phase inversion process. This review focuses on the recent development (past 10 years) of antifouling membranes via this method and uses different phase-inversion processes including liquid-induced phase separation, vapor induced phase separation, and thermally induced phase separation. Antifouling materials used in these recent studies including polymers, metals, ceramics, and carbon-based and porous nanomaterials are also surveyed. Furthermore, the assessment of antifouling properties and performances are extensively summarized. Finally, we conclude this review with a list of technical and scientific challenges that still need to be overcome to improve the functional properties and widen the range of applications of antifouling membranes prepared by blending modification.
Modern manufacturing is aiming for products that are readily available, environmentally sustainable, and energy efficient. This paper delves into the exploration of compounds meeting these criteria. Specifically, we investigate the structural, elastic, optoelectronic, and transport properties of XSnBr3 (X = Rb/Cs) compounds utilizing the full-potential linearized augmented plane wave program (FP LAPW), a component of Wien2K software. Structural optimization is carried out through the generalized gradient approximation (GGA) approach, yielding lattice constants consistent with preceding numerical and experimental studies. The explored XSnBr3 (X = Rb/Cs) materials exhibit ductility and mechanical stability. Notably, XSnBr3 (X = Rb/Cs) displays a direct bandgap, signifying its semiconducting nature. The bandgap values, as determined by the modified Becke–Johnson (mBJ) approach, stand at 2.07 eV for X = Rb and 2.14 eV for XSnBr3 (X = Rb/Cs). Furthermore, utilizing the BoltzTraP software’s transport feature, we investigate thermoelectric properties. Remarkably, XSnBr3 (X = Rb/Cs) demonstrates impressive figures of merit (ZT) at room temperature, implying its potential to serve as a material for highly efficient thermoelectric devices. This research holds promise for contributing to the development of environmentally friendly and energy-efficient technologies.
Metal-halide perovskites are recognized as cutting-edge solar energy technology, boasting remarkable absorption capabilities, minimal environmental impact, and cost-effectiveness. This study delves into the structural stability, mechanical stability, and optoelectronic properties of lead-free halide perovskites, specifically XMgI3 (X = Li/Na), by utilizing the CASTEP and WIEN2k software along with the GGA-PBE and Tran–Blaha modified Becke–Johnson (TB-mBJ) exchange–correlation functions to compare their electronic properties. The structural and mechanical stabilities were confirmed by assessing their tolerance factor and formation energy and by evaluating their elastic constants, respectively. Using the TB-mBJ exchange–correlation potential function, the calculated indirect band gap values for LiMgI3 and NaMgI3 were 2.474 and 2.556 eV, respectively. These band gaps are suitable for solar energy harvesting due to their broad optical absorption ranging from infrared to visible light. The partial density of states and the total density of states were determined to investigate the contribution of individual atoms. Consequently, this study can guide researchers focusing on the experimental synthesis of these materials at the laboratory scale for in-depth exploration, particularly in applications such as photovoltaics and various optoelectronic devices.
15 July 2024 in Journal of Computational Chemistry
In order to enhance the power conversation efficiency of dye sensitized solar cells (DSSCs), various trials have been reported. In this work, the composites of n-type semiconductors, ZnO and ZrS2 were fabricated in DSSCs. In addition, the effect of addition of carbon dots on them was assessed. When 10 wt% of ZrS2 were mixed with ZnO, the power conversation efficiency achieved 1.6 times of it of ZnO but the coexistence of carbon dots and ZrS2 in ZnO DSSC resulted the decrease of the power conversation efficiency. ZrS2 forms an n-n heterojunction with ZnO and contributes to the fast transfer of electrons to the conductive electrode substrate. Meanwhile, when carbon dots are added to ZnO/ZrS2(10wt%) DSSC, the electrons generated and transferred to ZrS2 should recombine with holes generated and transferred to photosensitizer. These situations are compared with the composite system of ZnO/carbon dots previously reported and suggest us the selection of preferable combination of composite DSSCs.