PTFE/EP Reinforced MOF/SiO2 Composite as a Superior Mechanically Robust Superhydrophobic Agent towards Corrosion Protection, Self-Cleaning and Anti-Icing.

Organic resin cross-linking ZIF-67/SiO2 superhydrophobic (SHPB) multilayer coating was successfully fabricated on metal substrate. The perfluoro-octyl-triethoxy silane (POTS) modified ZIF-67 and SiO2 coating was applied on primary coated polytetrafluoroethylene (PTFE) and epoxy resin (EP) via spray coating method. Here, we present that the robust superhydrophobicity can be realized by structuring surfaces at two different length scales, with a nanostructure design to provide water repellence and a microstructure design to provide durability. The as-fabricated multilayer coating displayed superior water-repellence (CA=167.4°), chemical robustness (pH=1-14) and mechanical durability undergoing 120th linear abrasion or 35th rotatory abrasion cycle. By applying different acidic and basic corrosive media and various weathering conditions, it can still maintain superior-hydrophobicity. To get a better insight of interaction between inhibitor molecules and metal surface, density functional theory (DFT) calculations were performed, showing lower energy gap and increased binding energy of ZPS/SiO2 /PTFE/EP (ZPS=ZIF-67+POTS) multilayer coating compared to the ZIF-67/SiO2 /PTFE/EP, thereby supporting the experimental findings. Additionally, such coatings may be useful for applications such as anti-corrosion, self-cleaning, and anti-icing multi-functionalities.

Simplified Synthesis of Biomass-Derived Si/C Composites as Stable Anode Materials for Lithium-Ion Batteries.

Synthesis of silicon/carbon (Si/C) composites from biomass resources could enable the effective utilization of agricultural products in the battery industry with economical as well as environmental benefits. Herein, a simplified process was developed to synthesize Si/C from biomass, by using a low-cost agricultural byproduct "rice husk (RH)" as a model. This process includes the calcination of RH for SiO2 /C and the reduction of SiO2 /C by Al in molten salts at a moderate temperature. This process does not need the removal of carbon before thermal reduction of SiO2 , which is thought to be necessary to avoid the formation of SiC at elevated temperatures. Thus, carbon derived from biomass can be directly used for Si/C composites for anode materials. The resultant Si/C shows a high reversible capacity of 1309 mAh g-1 and long cycle life (300 cycles). This research advocates a new and simplified strategy for the synthesis of RH-based biomass-derived Si/C, which is beneficial for low-cost, environmentally friendly, and green energy storage applications.

Metal-Organic Frameworks-Derived Mesoporous Si/SiOx @NC Nanospheres as a Long-Lifespan Anode Material for Lithium-Ion Batteries.

Silicon (Si)-based anode materials with suitable engineered nanostructures generally have improved lithium storage capabilities, which provide great promise for the electrochemical performance in lithium-ion batteries (LIBs). Herein, a metal-organic framework (MOF)-derived unique core-shell Si/SiOx @NC structure has been synthesized by a facile magnesio-thermic reduction, in which the Si and SiOx matrix were encapsulated by nitrogen (N)-doped carbon. Importantly, the well-designed nanostructure has enough space to accommodate the volume change during the lithiation/delithiation process. The conductive porous N-doped carbon was optimized through direct carbonization and reduction of SiO2 into Si/SiOx simultaneously. Benefiting from the core-shell structure, the synthesized product exhibited enhanced electrochemical performance as an anode material in LIBs. Particularly, the Si/SiOx @NC-650 anode showed the best reversible capacities up to 724 and 702 mAh g-1 even after 100 cycles. The excellent cycling stability of Si/SiOx @NC-650 may be attributed to the core-shell structure as well as the synergistic effect between the Si/SiOx and MOF-derived N-doped carbon.

Mesoporous Amorphous Silicon: A Simple Synthesis of a High-Rate and Long-Life Anode Material for Lithium-Ion Batteries.

Amorphous Si (a-Si) shows potential advantages over crystalline Si (c-Si) in lithium-ion batteries, owing to its high lithiation potential and good tolerance to intrinsic strain/stress. Herein, porous a-Si has been synthesized by a simple process, without the uses of dangerous or expensive reagents, sophisticated equipment, and strong acids that potential cause environment risks. These porous a-Si particles exhibit excellent electrochemical performances, owing to their porous structure, amorphous nature, and surface modification. They deliver a capacity of 1025 mAh g-1 at 3 A g-1 after 700 cycles. Moreover, the reversible capacity after electrochemical activation, is quite stable throughout the cycling, resulting in a capacity retention about around 88 %. The direct comparison between a-Si and c-Si anodes clearly supports the advantages of a-Si in lithium-ion batteries.

Manganese and Cobalt-Free Ultrahigh-Ni-Rich Single-Crystal Cathode for High-Performance Lithium Batteries.

Current commercial nickel (Ni)-rich Mn, Co, and Al-containing cathodes are employed in high-energy-density lithium (Li) batteries all around the globe. The presence of Mn/Co in them brings out several problems, such as high toxicity, high cost, severe transition-metal dissolution, and quick surface degradation. Herein, a Mn/Co-free ultrahigh-Ni-rich single-crystal LiNi0.94Fe0.05Cu0.01O2 (SCNFCu) cathode with acceptable electrochemical performance is benchmarked against a Mn/Co-containing cathode. Despite having a slightly lower discharge capacity, the SCNFCu cathode retaining 77% of its capacity across 600 deep cycles in full-cell outperforms comparable to a high-Ni single-crystal LiNi0.9Mn0.05Co0.05O2 (SCNMC; 66%) cathode. It is shown that the stabilizing ions Fe/Cu in the SCNFCu cathode reduce structural disintegration, undesirable side reactions with the electrolyte, transition-metal dissolution, and active Li loss. This discovery provides a new extent for cathode material development for next-generation high-energy, Mn/Co-free Li batteries due to the compositional tuning flexibility and quick scalability of SCNFCu, which is comparable to the SCNMC cathode.

Transition Metal-Decorated Mg12O12 Nanoclusters as Biosensors and Efficient Drug Carriers for the Metformin Anticancer Drug.

Drug carriers have been designed and investigated remarkably due to their effective use in the modern medication process. In this study, the decoration of the Mg12O12 nanocluster has been done with transition metals (Ni and Zn) for effective adsorption of metformin (anticancer drug). Decoration of Ni and Zn on a nanocluster allows two geometries, and similarly, the adsorption of metformin also provides two geometries. Density functional theory and time-dependent density functional theory have been employed at the B3LYP with 6-311G(d,p) level. The decoration of Ni and Zn offers good attachment and detachment of the drug, which is observed from their good adsorption energy values. Further, the reduction in the energy band gap is noted in the metformin-adsorbed nanocluster, which allows high charge transfer from a lower energy level to a high energy level. The drug carrier systems show an efficient working mechanism in a water solvent with the visible-light absorption range. Natural bonding orbital and dipole moment values suggested that the adsorption of the metformin causes charge separation in these systems. Moreover, low values of chemical softness with a high electrophilic index recommended that these systems are naturally stable with the least reactivity. Thus, we offer novel kinds of Ni- and Zn-decorated Mg12O12 nanoclusters as efficient carriers for metformin and also recommend them to experimentalists for the future development of drug carriers.

Carbon nanostructure-reinforced SiCw/Si3N4 composite with enhanced thermal conductivity and mechanical properties.

Carbon nanostructures (CNS) as a kind of reinforcement material can remarkably enhance the mechanical and thermal properties of ceramics. This research presents an analysis of the influence of CNS on the thermal conductivity and mechanical properties of SiCw/Si3N4 composites. The SiCw/Si3N4 composites containing various types of CNS e.g. carbon nanofibers (CNF), multi-walled carbon nanotubes (MWCNT) and graphene nano-platelets (GNP) were fabricated by hot-press sintering. XRD analysis confirmed a complete transformation of α-Si3N4 to ß-Si3N4 and microstructural analysis shows a uniform distribution, as well as a pullout and bridging mechanism of CNS. The results revealed that the thermal conductivity and mechanical properties of SiCw/Si3N4 composites increased with the addition of CNS. Maximum values of fracture toughness (9.70 ± 0.8 MPa m1/2) and flexural strength (765 ± 58 MPa) have been achieved for the MWCNT-containing SiCw/Si3N4 composite, whereas the maximum values of Young's modulus (250 ± 3.8 GPa) and hardness (27.2 ± 0.9 GPa) have been achieved for the CNF-containing SiCw/Si3N4 composite. Moreover, thermal conductivity also improved with the addition of CNS and reached a maximum value of 110.6 W m-1 K-1 for the CNF-containing SiCw/Si3N4 composite. This work provides a useful approach for the fabrication of high-performance multifunctional composites for emerging engineering applications.

Enhanced thermal conductivity and mechanical properties of a GNP reinforced Si3N4 composite.

Graphene nanocomposites can significantly enhance the thermal conductivity and mechanical properties of ceramics at relatively low nano-filler addition. Herein, graphene nano-platelet reinforced Si3N4 (GNP/Si3N4) composites were prepared by hot press (HP) sintering using fluoride (AlF3, MgF2) sintering-additives. The microstructural properties revealed the enhanced crystallization degree and density of the GNP/Si3N4 composites with different concentrations of graphene nano-platelets (GNPs). These properties help to achieve a significantly improved thermal conductivity (from 82.42 to 137.47 W m-1 K-1) of the GNP/Si3N4 composites. The morphology of the composites shows a uniform distribution of GNP, whereas overlapping of GNPs (2 to 4 platelets) at the grain boundaries of Si3N4 was observed. The fracture toughness and Vickers hardness of the composites also increased with the increasing content of GNP. The toughening mechanism was similar in all composites with GNP addition in respect of pull out, crack deflection, crack branching and crack bridging.