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Creating dual-atom active sites in host metals allows tuning of chemical properties through electronic effects and ensemble effects. In particular, some dual-atom alloys feature molecular-like electronic states.
Correction for ‘Tuning the melting point of selected ionic liquids through adjustment of the cation’s dipole moment’ by Brooks D. Rabideau et al. , Phys. Chem. Chem. Phys. , 2020, 22 , 12301–12311, https://doi.org/10.1039/D0CP01214A.
Here, we demonstrate that active site ensembles on transition metal phosphides tune the selectivity of the nitrate reduction reaction. Using Ni 2 P nanocrystals as a case study, we report a mechanism involving competitive co-adsorption of H* and NO x * intermediates. A near 100% faradaic efficiency for nitrate reduction over hydrogen evolution is observed at -0.4 V, while NH 3 selectivity is maximized at -0.2 V vs. RHE.
Over the past two decades, significant progress in two-dimensional (2D) materials has invigorated research in condensed matter and material physics in low dimensions. While traditionally studied in three-dimensional systems, magnetism has now been extended to the 2D realm. Recent breakthroughs in 2D magnetism have attracted substantial interest from the scientific community, owing to the stable magnetic order achievable in atomically thin layers of the van der Waals (vdW)-type layered magnetic materials. These advances offer an exciting platform for investigating related phenomena in low dimensions and hold promise for spintronic applications. Consequently, vdW magnetic materials with tunable magnetism have attracted significant attention. Specifically, antiferromagnetic metal thiophosphates MPX 3 (M = transition metal, P = phosphorus, X = chalcogen) have been investigated extensively. These materials exhibit long-range magnetic order spanning from bulk to the 2D limit. The magnetism in MPX 3 arises from localized moments associated with transition metal ions, making it tunable via substitutions and intercalations. In this review, we focus on such tuning by providing a comprehensive summary of various metal- and chalcogen-substitution and intercalation studies, along with the mechanism of magnetism modulation, and a perspective on the development of this emergent material family.
Substituents can strongly affect electric and thermoelectric properties of molecular junctions (MJs) by tuning quantum interference (QI) in MJs.
Experimental and theoretical study of [Ga 4 L 6 ] 12− and [In 4 L 6 ] 12− investigating guest encapsulation. Our study reveals that solvent composition, crucially affects entropy and guest binding, opening the door for tuning host–guest interactions.
The reversibility of phase transformation influences the functionality of electrode materials in batteries. In many battery materials, nanosized grains favor phase reversibility but at the cost of cyclability due to aggravated side reactions with the electrolyte. Here, in this study, we present a novel approach to enhance the phase transformation reversibility of layered oxide cathodes, exemplified by Na 2/3 Fe 1/2 Mn 1/2 O 2 through proton irradiation. In addition to forming defects, proton irradiation at sufficiently high doses can subdivide single grains into multiple nanodomains without physically rupturing them. Hence, the single grains of the material assume a pseudo-secondary particle nature without reducing the overall grain size. Preserving the grain size is advantageous, as it reduces side reactions, which is not possible with conventional grain size reduction methods. While chemical transformations and defect formation induced through proton irradiation can influence the stability of battery materials, it is expected that structural reorganization due to cycling-induced phase transformation will be contained within these nanodomains. Such confinement of phase transformation is potentially responsible for enhancing the reversibility of layered oxide materials in our study. Thus, our study suggests that grain subdivision could become an effective microstructure tuning strategy for managing electrochemical cycling-induced phase changes in battery electrodes.
Polymer-ceramic composite electrolytes (CPE) have emerged as promising replacements for currently used liquid organic electrolytes, which pose as safety hazards, in Li-ion batteries. Limits in conductivity enhancement in CPEs is often attributed to a high resistance for Li-ion transport along the interface due to the incompatibility of the polymer and ceramic phases. A clear understanding of the interfacial structure and how this impacts interfacial Li-ion transport is needed in order to efficiently design a CPE with optimal ionic conductivity. In this study, density functional theory (DFT) calculations, in conjunction with scanning transmission electron microscopy (STEM) and electron energy loss spectroscopy (EELS), are used to unveil the bulk and surface structure of La0.5Li0.5−xMxTiO3 (M = Na, K) (LMTO) nanorods, a newly-reported ceramic system with promising applications in CPEs, and the LMTO interactions with the poly(lithium sulfonyl (trifluoromethane sulfonyl)imide methacrylate) (p(MTFSILi)) polymerized ionic liquid. Substitution of lithium for sodium and potassium onto the A-site perovskite lattice is shown to increase the stability of the preferred pseudocubic perovskite phase because of their increased cation size which allows them to reduce the TiO6 octahedral rotations in the bulk and at the surface. STEM and EELS results show that LMTO nanorods with differing compositions have Ti-enriched (110)-oriented surfaces. Increased sodium and potassium compositions in LMTO is also shown using the DFT calculations to weaken the binding of the lithium atom to the MTFSI unit when LiMTFSI is adsorbed to the LMTO surface. This weakening of lithium binding to the polymer at the LMTO interface indicates that the lithium mobility is increased, correlating to an increase in interfacial Li-ion transport. Overall, this work provides insights into how to tune the interfacial interactions between the polymer (p(MTFSI)) and ceramic (LMTO) for optimal CPE design.
In this work we study the stellar mass–metallicity relation (MZR) of an extended sample of star-forming galaxies in the local Universe and its possible dependence on the star formation rate (SFR). We selected a sample of approximately 195 000 Sloan Digital Sky Survey (SDSS) star-forming galaxies up to z = 0.22 with the aim of analysing the behaviour of the MZR with respect to SFR whilst taking into account the age of their stellar populations. For the first time, with this sample, we obtained aperture corrected oxygen and nitrogen-to-oxygen abundances (O/H and N/O, respectively) and SFR using the empirical prescriptions from the Calar Alto Legacy Integral Field Area (CALIFA) survey. To perform this study we also make use of the stellar mass of the galaxies and the parameter Dn(4000) as a proxy for the age of the stellar population. We derive a robust MZR locus, which is found to be fully consistent with the ‘anchoring’ points of a selected set of well-studied nearby galaxies for which the chemical abundance has been derived using the direct method. We observe a complex relation between MZR and SFR across the whole range of galaxy mass and metallicity, where the slope changes seen in the O/H–SFR plane present a pattern that seems to be tuned to the stellar age of the galaxies, and therefore stellar age has to be taken into account in the stellar mass–metallicity–SFR relation. In order to provide an answer to the question of whether or not the MZR depends on the SFR, it is essential to take into account the age of the stellar populations of galaxies. A strong dependence of the MZR on SFR is observed mainly for star-forming galaxies with strong SFR values and low D n (4000). The youngest galaxies of our SDSS sample show the highest SFR measured for their stellar mass.
In spite of the attractive electrical properties of metal oxide nanowires, it is difficult to tune their surface states, notably the ionic adsorbents and oxygen vacancies, both of which can cause instability, degradation, and the irreproducibility or unrepeatable changes of the electrical characteristics. In order to control the surface states of the nanowires, electron beams were locally irradiated onto the channels of metal oxide nanowire field effect transistors. This high energy electron beam irradiation changed the electrical properties of the individual metal oxide nanowires, due to the removal of the negative adsorbents (O{sub 2}{sup -}, O{sup -}). The detachment of the ionic adsorbents changes the charge states of the nanowires, resulting in the enhancement of the electrical conductance in n-type nanowires (ZnO, SnO{sub 2}) and the degradation of the conductance in p-type nanowires (CuO). By investigating the changes in the electrical properties of nanowire devices in air or vacuum, with or without exposure to electron beams, the roles of the physisorbed water molecules or chemisorbed oxygen molecules can be independently understood. Unlike the electron beam irradiation, the vacuum enhanced the conductance of both n-type (ZnO, SnO{sub 2}) and p-type (CuO) nanowires, due to the release of charges caused by the detachment of the polarized water molecules that were screening them from the surface of the nanowires, irrespective of the major carrier type. The electron beam irradiation technique has the potential to locally modulate the charge carriers in electronic nanowire devices, and the changes could be maintained with proper passivation for the long-term preservation of the device characteristics.
Early time radiation symmetry at the capsule for indirect drive ignition on the National Ignition Facility (NIF) [G. H. Miller, E. I. Moses, and C. R. Wuest, Nucl. Fusion 44, 228 (2004)] will be inferred from the instantaneous soft x-ray re-emission pattern of a high-Z sphere replacing the ignition capsule. This technique was tested on the OMEGA laser facility [J. M. Soures, R. L. McCrory, T. Boehly et al., Laser Part. Beams 11, 317 (1991)] in near full ignition scale vacuum hohlraums using an equivalent experimental setup to the one planned for NIF. Two laser cones entering each laser entrance hole heat the hohlraums to radiation temperatures of 100 eV, mimicking the NIF ignition pulse foot drive. The experiments have demonstrated accuracies of {+-}1.5% ({+-}2%) in inferred P{sub 2}/P{sub 0} (P{sub 4}/P{sub 0}) Legendre mode incident flux asymmetry and consistency between 900 eV and 1200 eV re-emission patterns. We have also demonstrated the expected tuning capability of P{sub 2}/P{sub 0}, from positive (pole hot) to negative (waist hot), decreasing linearly with the inner/outer beams power fraction. P{sub 4}/P{sub 0} on the other hand shows very little variation with power fraction. We developed a simple analytical viewfactor model that is in good agreement with both measured P{sub 2}/P{sub 0} and P{sub 4}/P{sub 0} and their dependence on inner beam power fraction.
Acceleration of a 500 keV beam up to 2.8 A has been achieved on a JT-60U negative ion source with a three-stage accelerator by overcoming low voltage holding which is one of the critical issues for realization of the JT-60SA ion source. In order to improve the voltage holding, preliminary voltage holding tests with small-size grids with uniform and locally intense electric fields were carried out, and suggested that the voltage holding was degraded by both the size and local electric field effects. Therefore, the local electric field was reduced by tuning gap lengths between the large size grids and grid support structures of the accelerator. Moreover, a beam radiation shield which limited extension of the minimum gap length was also optimized so as to reduce the local electric field while maintaining the shielding effect. These modifications were based on the experiment results, and significantly increased the voltage holding from <150 kV/stage for the original configuration to 200 kV/stage. These techniques for improvement of voltage holding should also be applicable to other large ion sources accelerators such as those for ITER.
The properties of the electromagnetic waves heating the electrons of the ECR ion sources (ECRIS) plasma affect the features of the extracted ion beams such as the emittance, the shape, and the current, in particular for higher charge states. The electron heating methods such as the frequency tuning effect and the double frequency heating are widely used for enhancing the performances of ECRIS or even for the routine operation during the beam production. In order to better investigate these effects the CAPRICE ECRIS has been operated using these techniques. The ion beam properties for highly charged ions have been measured with beam diagnostic tools. The reason of the observed variations of this performance can be related to the different electromagnetic field patterns, which are changing inside the plasma chamber when the frequency is varying.
In nano-grain BaTiO{sub 3} ceramics, internal compressive stresses make the cubic phase more stable, while internal shear stresses stabilize rhombohedral and orthorhombic phases. The competition between internal compressive stresses and internal shear stresses gives a ferroelectric to paraelectric to ferroelectric reentrance phenomenon as a function of grain size. The pressure can be a tuning factor of reentrance behavior by controlling the interactions between external hydrostatic pressure and internal compressive stresses. These experimental phenomena can be well described by a modified Ginzburg-Landau-Devonshire thermodynamic theory.
The crystal structures and morphologies of ternary Bi{sub 2}(Se{sub x}Te{sub 1-x}){sub 3} nanoplates have been systematically characterized by employing atomic force microscopy, scanning electron microscopy, high-resolution transmission electron microscopy equipped with the energy dispersive X-ray spectrometer, and the X-ray diffraction. We find that the Bi{sub 2}(Se{sub x}Te{sub 1-x}){sub 3} nanoplates exhibit uniform charge and surface potential distributions. And their Fermi levels can be effectively tuned up to 0.23 eV by varying the selenium/tellurium composition ratios.
We have achieved (001) oriented L1{sub 0} (Fe{sub 1-x}Cu{sub x}){sub 55}Pt{sub 45} thin films, with magnetic anisotropy up to 3.6 Multiplication-Sign 10{sup 7} erg/cm{sup 3}, using atomic-scale multilayer sputtering and post annealing at 400 Degree-Sign C for 10 s. By fixing the Pt concentration, structure and magnetic properties are systematically tuned by the Cu addition. Increasing Cu content results in an increase in the tetragonal distortion of the L1{sub 0} phase, significant changes to the film microstructure, and lowering of the saturation magnetization and anisotropy. The relatively convenient synthesis conditions, along with the tunable magnetic properties, make such materials highly desirable for future magnetic recording technologies.
p-type conduction of CuAlO{sub 2} thin films was realized by the rf sputtering method. Combining with Hall, X-ray photoelectron spectroscopy, energy dispersive spectrometer, and X-ray diffraction results, a direct link between the hole concentration, Cu vacancy (V{sub Cu}), and interstitial oxygen (O{sub i}) was established. It is shown that peroxidation of CuAlO{sub 2} films may lead to the increased formation probability of acceptors (V{sub Cu} and O{sub i}), thus, increasing the hole concentration. The dependence of the V{sub Cu} density on growth conditions was identified for providing a guide to tune the formation of p-type defects in CuAlO{sub 2}. Understanding the defect-related p-type conductivity of CuAlO{sub 2} is essential for designing optoelectronic devices and improving their performance.
The performances of quartz tuning forks (QTF) used in infrared spectroscopy for pollutant detection are investigated. The transduction between light and QTF vibration is elucidated, thanks to QTF encapsulation under vacuum. From the sensitivity enhancement which is obtained, we conclude that their interaction is photo-thermoelastic rather than photo-thermoacoustic. A mapping of the local sensitivity of the QTF is obtained by scanning its faces with the excitation probe beam. The comparison between the signal mapping and the theoretical strain mapping indicates that the most efficient areas of the QTF correspond to the areas where the strain or stress is the highest.