Two Sustainable Pathways of MOF-Catalyzed Room Temperature Chemical Fixation of CO inside Alkynes under Atmospheric Pressure.

The rising atmospheric CO levels necessitate the development of effective materials for its mitigation. Utilization of adsorbent materials for the reversible physisorption of CO has a significantly less impact. Recognizing this need, herein, we present a nitrogen-rich, aqua-stable, Ag(0)-nanoparticle-doped metal-organic framework (MOF) designed for the irreversible chemical conversion of CO into valuable fine chemicals.

CsNaGdCl:Tb─A Highly Luminescent Rare-Earth Double Perovskite Scintillator for Low-Dose X-ray Detection and Imaging.

Rare-earth-based double perovskite (DP) X-ray scintillators have gained significant importance with low detection limits in medical imaging and radiation detection owing to their high light yield (LY) and remarkable spatial resolution. Herein, we report the synthesis of 3D double perovskite (DP) crystals, namely, CsNaGdCl and Tb-CsNaGdCl using hydrothermal reaction. CsNaGdCl DP single crystals exhibited a blue self-trapped exciton (STE) emission at 470 nm under ultraviolet (265 nm) excitation with a photoluminescence quantum yield (PLQY) of 8.

A phase field model combined with a genetic algorithm for polycrystalline hafnium zirconium oxide ferroelectrics.

Ferroelectric hafnium zirconium oxide (HZO) thin films show significant promise for applications in ferroelectric random-access memory devices, ferroelectric field-effect transistors, and ferroelectric tunneling junctions. However, there are shortcomings in understanding ferroelectric switching, which is crucial in the operation of these devices. Here a computational model based on the phase field method is developed to simulate the switching behavior of polycrystalline HZO thin films.

A Comprehensive Study on the Effect of TiN Top and Bottom Electrodes on Atomic Layer Deposited Ferroelectric HfZrO Thin Films.

The discovery of ferroelectricity in HfO-based materials in 2011 provided new research directions and opportunities. In particular, for atomic layer deposited HfZrO (HZO) films, it is possible to obtain homogenous thin films with satisfactory ferroelectric properties at a low thermal budget process. Based on experiment demonstrations over the past 10 years, it is well known that HZO films show excellent ferroelectricity when sandwiched between TiN top and bottom electrodes.

Tailoring HO generation kinetics with magnesium alloys for efficient disinfection on titanium surface.

A new antibacterial strategy for Ti has been developed without the use of any external antibacterial agents and surface treatments. By combining Mg alloys with Ti, HO, which is an oxidizing agent that kills bacteria, was spontaneously generated near the surface of Ti. Importantly, the HO formation kinetics can be precisely controlled by tailoring the degradation rates of Mg alloys connected to Ti.

Effect of Material and Process Variables on Characteristics of Nitridation-Induced Self-Formed Aluminum Matrix Composites-Part 1: Effect of Reinforcement Volume Fraction, Size, and Processing Temperatures.

This paper investigates the effect of the size and volume fraction of SiC, along with that of the processing temperature, upon the nitridation behavior of aluminum powder during the nitridation-induced self-formed aluminum composite (NISFAC) process. In this new composite manufacturing process, aluminum powder and ceramic reinforcement mixtures are heated in nitrogen gas, thus allowing the exothermic nitridation reaction to partially melt the aluminum powder in order to assist the composite densification and improve the wetting between the aluminum and the ceramic. The formation of a sufficient amount of molten aluminum is key to producing sound, pore-free aluminum matrix composites (AMCs); hence, the degree of nitridation is a key factor.

Effect of Material and Process Variables on Characteristics of Nitridation-Induced Self-Formed Aluminum Matrix Composites-Part 2: Effect of Nitrogen Flow Rates and Processing Temperatures.

The nitridation-induced self-formed aluminum matrix composite (NISFAC) process is based on the nitridation reaction, which can be significantly influenced by the characteristics of the starting materials (e.g., the chemical composition of the aluminum powder and the type, size, and volume fraction of the ceramic reinforcement) and the processing variables (e.

Aluminum Matrix Composites Manufactured using Nitridation-Induced Self-Forming Process.

Conventional manufacturing processes for aluminum matrix composites (AMCs) involve complex procedures that require unique equipment and skills at each stage. This increases the process costs and limits the scope of potential applications. In this study, a simple and facile route for AMC manufacturing is developed, a mixture of Al powder and the ceramic reinforcement is simply heated under nitrogen atmosphere to produce the composite.

A new corrosion-inhibiting strategy for biodegradable magnesium: reduced nicotinamide adenine dinucleotide (NADH).

Utilization of biodegradable metals in biomedical fields is emerging because it avoids high-risk and uneconomic secondary surgeries for removing implantable devices. Mg and its alloys are considered optimum materials for biodegradable implantable devices because of their high biocompatibility; however, their excessive and uncontrollable biodegradation is a difficult challenge to overcome. Here, we present a novel method of inhibiting Mg biodegradation by utilizing reduced nicotinamide adenine dinucleotide (NADH), an endogenous cofactor present in all living cells.

Dislocation driven spiral and non-spiral growth in layered chalcogenides.

Two-dimensional materials have shown great promise for implementation in next-generation devices. However, controlling the film thickness during epitaxial growth remains elusive and must be fully understood before wide scale industrial application. Currently, uncontrolled multilayer growth is frequently observed, and not only does this growth mode contradict theoretical expectations, but it also breaks the inversion symmetry of the bulk crystal.

Enhanced Endurance Organolead Halide Perovskite Resistive Switching Memories Operable under an Extremely Low Bending Radius.

It was demonstrated that organolead halide perovskites (OHPs) show a resistive switching behavior with an ultralow electric field of a few kilovolts per centimeter. However, a slow switching time and relatively short endurance remain major obstacles for the realization of the next-generation memory. Here, we report a performance-enhanced OHP resistive switching device.

Erratum: Direct and accurate measurement of size dependent wetting behaviors for sessile water droplets.

This corrects the article DOI: 10.1038/srep18150.

A kinetic Monte Carlo simulation method of van der Waals epitaxy for atomistic nucleation-growth processes of transition metal dichalcogenides.

Controlled growth of crystalline solids is critical for device applications, and atomistic modeling methods have been developed for bulk crystalline solids. Kinetic Monte Carlo (KMC) simulation method provides detailed atomic scale processes during a solid growth over realistic time scales, but its application to the growth modeling of van der Waals (vdW) heterostructures has not yet been developed. Specifically, the growth of single-layered transition metal dichalcogenides (TMDs) is currently facing tremendous challenges, and a detailed understanding based on KMC simulations would provide critical guidance to enable controlled growth of vdW heterostructures.

Long-term clinical study and multiscale analysis of in vivo biodegradation mechanism of Mg alloy.

There has been a tremendous amount of research in the past decade to optimize the mechanical properties and degradation behavior of the biodegradable Mg alloy for orthopedic implant. Despite the feasibility of degrading implant, the lack of fundamental understanding about biocompatibility and underlying bone formation mechanism is currently limiting the use in clinical applications. Herein, we report the result of long-term clinical study and systematic investigation of bone formation mechanism of the biodegradable Mg-5wt%Ca-1wt%Zn alloy implant through simultaneous observation of changes in element composition and crystallinity within degrading interface at hierarchical levels.

Direct and accurate measurement of size dependent wetting behaviors for sessile water droplets.

The size-dependent wettability of sessile water droplets is an important matter in wetting science. Although extensive studies have explored this problem, it has been difficult to obtain empirical data for microscale sessile droplets at a wide range of diameters because of the flaws resulting from evaporation and insufficient imaging resolution. Herein, we present the size-dependent quantitative change of wettability by directly visualizing the three phase interfaces of droplets using a cryogenic-focused ion beam milling and SEM-imaging technique.

Catalytic activity for oxygen reduction reaction on platinum-based core-shell nanoparticles: all-electron density functional theory.

Pt nanoparticles (NPs) in a proton exchange membrane fuel cell as a catalyst for an oxygen reduction reaction (ORR) fairly overbind oxygen and/or hydroxyl to their surfaces, causing a large overpotential and thus low catalytic activity. Realizing Pt-based core-shell NPs (CSNPs) is perhaps a workaround for the weak binding of oxygen and/or hydroxyl without a shortage of sufficient oxygen molecule dissociation on the surface. Towards the end, we theoretically examined the catalytic activity of NPs using density functional theory; each NP consists of one of 12 different 3d-5d transition metal cores (groups 8-11) and a Pt shell.

Rapid in vitro corrosion induced by crack-like pathway in biodegradable Mg-10% Ca alloy.

The in vitro corrosion mechanism of the biodegradable cast Mg-10% Ca binary alloy in Hanks' solution was evaluated through transmission electron microscopy observations. The corrosion behavior depends strongly on the microstructural peculiarity of Mg₂Ca phase surrounding the island-like primary Mg phase and the fast corrosion induced by the interdiffusion of O and Ca via the Mg₂Ca phase of lamellar structure. At the corrosion front, we found that a nanosized crack-like pathway was formed along the interface between the Mg₂Ca phase and the primary Mg phase.

Biodegradability engineering of biodegradable Mg alloys: tailoring the electrochemical properties and microstructure of constituent phases.

Crystalline Mg-based alloys with a distinct reduction in hydrogen evolution were prepared through both electrochemical and microstructural engineering of the constituent phases. The addition of Zn to Mg-Ca alloy modified the corrosion potentials of two constituent phases (Mg + Mg2Ca), which prevented the formation of a galvanic circuit and achieved a comparable corrosion rate to high purity Mg. Furthermore, effective grain refinement induced by the extrusion allowed the achievement of much lower corrosion rate than high purity Mg.

The modification of microstructure to improve the biodegradation and mechanical properties of a biodegradable Mg alloy.

The effect of microstructural modification on the degradation behavior and mechanical properties of Mg-5wt%Ca alloy was investigated to tailor the load bearing orthopedic biodegradable implant material. The eutectic Mg/Mg2Ca phase precipitated in the as-cast Mg-5wt%Ca alloy generated a well-connected network of Mg2Ca, which caused drastic corrosion due to a micro galvanic cell formed by its low corrosion potential. Breaking the network structure using an extrusion process remarkably retarded the degradation rate of the extruded Mg-5wt%Ca alloy, which demonstrates that the biocompatibility and mechanical properties of Mg alloys can be enhanced through modification of their microstructure.

In vivo corrosion mechanism by elemental interdiffusion of biodegradable Mg-Ca alloy.

We elucidated the in vivo corrosion mechanism of the biodegradable alloy Mg-10 wt % Ca in rat femoral condyle through transmission electron microscope observations assisted by focused ion beam technique. The alloy consists of a primary Mg phase and a three-dimensional lamellar network of Mg and Mg(2)Ca. We found that the Mg(2)Ca is rapidly corroded by interdiffusion of Ca and O, leading to a structural change from lamellar network to nanocrystalline MgO.

Size effects on the stabilization and growth of tetragonal ZrO2 crystallites in a nanotubular structure.

The size effects on the stabilization of ZrO2 polymorphs in nanoscale and the growth behavior of their crystallites in 1-D nanotubular structures were investigated. Polycrystalline nanotubular structures of ZrO2 with tetragonal nanocrystallites were fabricated using nanoporous polycarbonate (PC) templates and atomic layer deposition (ALD). The as-prepared ZrO2 nanotubes showed polycrystalline structures of stabilized tetragonal polymorphs at room temperature.

Analysis of transformation plasticity in steel using a finite element method coupled with a phase field model.

An implicit finite element model was developed to analyze the deformation behavior of low carbon steel during phase transformation. The finite element model was coupled hierarchically with a phase field model that could simulate the kinetics and micro-structural evolution during the austenite-to-ferrite transformation of low carbon steel. Thermo-elastic-plastic constitutive equations for each phase were adopted to confirm the transformation plasticity due to the weaker phase yielding that was proposed by Greenwood and Johnson.

Atomic layer deposition of dielectrics on graphene using reversibly physisorbed ozone.

Integration of graphene field-effect transistors (GFETs) requires the ability to grow or deposit high-quality, ultrathin dielectric insulators on graphene to modulate the channel potential. Here, we study a novel and facile approach based on atomic layer deposition through ozone functionalization to deposit high-κ dielectrics (such as Al(2)O(3)) without breaking vacuum. The underlying mechanisms of functionalization have been studied theoretically using ab initio calculations and experimentally using in situ monitoring of transport properties.

Superplastic deformation of defect-free Au nanowires via coherent twin propagation.

We report that defect-free Au nanowires show superplasticity on tensile deformation. Evidences from high-resolution electron microscopes indicated that the plastic deformation proceeds layer-by-layer in an atomically coherent fashion to a long distance. Furthermore, the stress-strain curve provides full interpretation of the deformation.

Linear stability analysis for step meandering instabilities with elastic interactions and Ehrlich-Schwoebel barriers.

Vicinal surfaces are known to exhibit morphological instabilities during step-flow growth. Through a linear stability analysis of step meandering instabilities, we investigate two effects that are important in many heteroepitaxial systems: elastic monopole-monopole interactions arising from bulk stress and the Ehrlich-Schwoebel (ES) barriers due to the asymmetric adatom incorporation rates. The analysis shows that the effects of the ES barriers increase as the average terrace width increases, whereas the effects of elastic monopole-monopole interactions decrease.