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Self-grown NiCuO x hybrids on a porous NiCuC substrate as an HER cathode in alkaline solution
Electrocatalysts converted directly from the substrates hold the key to achieve high catalytic activity and durability due to their high bonding strength, intimate electronic contact, and tunable phase composition. Herein, an electrically conductive porous NiCuC substrate was adopted to develop a multi-porous NiCuO x /NiCuC hydrogen evolution reaction (HER) catalyst using a one-step oxidation method in this research. The NiCuO x hybrids were characterized as three typical layers: an outer layer with NiCuO 2 solid solution phase, a partially oxidized intermediate layer, and an inner layer with limited stable oxygen content. Here, the NiCuO x /NiCuC possesses abundant Ni(II)–Cu(II) sites to accelerate the Volmer step via the electrostatic effect with OH – , numerous metallic NiCu sites to facilitate the H adsorption, and highly accessible channels to promote the Heyrovsky step during HER catalysis. As a result, high electrocatalytic performance was obtained with an overpotential of 116 mV at a current density of 10 mA cm –2 in 1.0 M potassium hydroxide, and a stable catalytic performance during the HER process for more than 24 h.
IDEAL 2a Phase II Study of Ultrafocal Brachytherapy for Low- and Intermediate-risk Prostate Cancer
Focal therapy of prostate cancer requires precise positioning of therapeutic agents within well-characterized index tumors (ITs). We assessed the feasibility of low-dose-rate ultrafocal brachytherapy.
A solid solution series of atacamite type Ni{sub 2x}Mg{sub 2−2x}Cl(OH){sub 3}
For the first time a complete solid solution series Ni{sub 2x}Mg{sub 2−2x}Cl(OH){sub 3} of an atacamite type alkaline main group metal chloride, Mg{sub 2}Cl(OH){sub 3}, and a transition group metal chloride, Ni{sub 2}Cl(OH){sub 3}, was prepared and characterized by chemical and thermal analysis as well as by Raman and IR spectroscopy, and high resolution laboratory X-ray powder diffraction. All members of the solid solution series crystallize in space group Pnam (62). The main building units of these crystal structures are distorted, edge-linked Ni/MgO{sub 4}Cl{sub 2} and Ni/MgO{sub 5}Cl octahedra. The distribution of Ni{sup 2+}- and Mg{sup 2+}-ions among these two metal-sites within the solid solution series is discussed in detail. The crystallization of the solid solution phases occurs via an intermediate solid solution series, (Ni/Mg)Cl{sub 2x}(OH){sub 2−2x}, with variable Cl: OH ratio up to the 1:3 ratio according to the formula Ni{sub 2x}Mg{sub 2−2x} Cl(OH){sub 3}. For one isolated intermediate solid solution member, Ni{sub 0.70}Mg{sub 0.30}Cl{sub 0.58}(OH){sub 1.42}, the formation and crystal structure is presented as well. - Graphical abstract: For the first time a complete solid solution series, Ni{sub 2x}Mg{sub 2−2x} Cl(OH){sub 3}, was synthesized and characterized. Structure solution by revealed that Ni{sup 2+} prefers to occupy the Jahn–Teller-like distorted hole, out of two available cation sites. Substitution of Ni{sup 2+} by Mg{sup 2+} in atacamite type Ni{sub 2}Cl(OH){sub 3} results in systematic band shifts in Raman and IR spectra as well as in systematic changes in thermal properties. The α-polymorphs M{sub 2}Cl(OH){sub 3} with M=Mg{sup 2+}, Ni{sup 2+} and other divalent transition metal ions, as described in literature, were identified as separate compounds. - Highlights: • First synthesis of solid solution series between main and transition metal chloride. • Ni{sup 2+} prefers to occupy Jahn–Teller-like distorted octahedral holes. • Substitution of Ni{sup 2+} by Mg{sup 2+} results in systematic Raman and IR band shifts. • α-Polymorphs M{sub 2}Cl(OH){sub 3} with M=Mg{sup 2+}, Ni{sup 2+}, … as described in literature do not exist.
Effect of Composition on Mechanical Properties and Conductivity of the Dual-Ion Conductor Na 1+ x Mn x /2 Zr 2– x /2 (PO 4 ) 3 for Solid-State Batteries
Here we report the dependence of mechanical properties and ionic conductivity of the Na 1+ x Mn x /2 Zr 2– x /2 (PO 4 ) 3 (designated as NMZP) ionic conductor on its composition (with x = 0.5, 1.0, 1.5, and 2.0). Local mechanics was studied by instrumented nanoindentation, and the properties of interest included the elastic modulus, hardness, and fracture toughness. Overall, the material becomes more compliant and soft with the increase in the Na content. The elastic modulus reduces from 120 to 80 GPa, and nanoindentation hardness reduces from 7.8 to 4.2 GPa when x changes from 0.5 to 2.0. The relationship with fracture toughness ( K C ) is highly nonlinear: fracture toughness first decreases and then increases with the increase in the sodium content, reaching a maximum value of 0.89 MPa × m 1/2 at x = 2.0. Such a relationship was found to correlate with the formation of a glassy phase in NMZP at intermediate Na concentration. The maximum ionic conductivity coincides with the maximum fracture toughness in this material.
Catalysis on Singly Dispersed Rh Atoms Anchored on an Inert Support
A metal catalyst supported on an inert substrate could consist of both metal nanoparticles and singly dispersed metal atoms. Whether these singly dispersed metal atoms are active and how different their catalytic mechanism could be in contrast to a supported metal catalyst are fundamentally important for understanding catalysis on a supported metal or oxide. In this study, by taking reduction of NO with CO on singly dispersed Rh atoms anchored on an inert support SiO 2 as a probe system (Rh 1 /SiO 2 ), we demonstrated how singly dispersed metal atoms on an inert support could perform a complex multi-step catalytic cycle through a mechanism distinctly different from that for a supported metal nanoparticle with continuously packed metal sites. These singly dispersed Rh 1 atoms anchored on SiO 2 are active in reducing nitric oxide with carbon monoxide through two reaction pathways that are different from those of Rh nanoparticles. In situ IR studies show that a CO molecule and a NO molecule coadsorb on a singly dispersed Rh atom, Rh 1 anchored on SiO 2 , and couple to form an N atom to adsorb on the surface and a CO 2 molecule to desorb. The adsorbed N atom further couples with another CO molecule in the gas phase to form an intermediate -NCO on Rh 1 ; this intermediate can directly couple with an NO molecule adsorbed on the same Rh1 to form N 2 and CO 2 . In another pathway, the adsorbed N atom can couple with a coadsorbed NO on the same Rh 1 to form N 2 O; N 2 O further reacts with adsorbed CO on the same Rh 1 to form N 2 and CO 2 through a high activation barrier that can be overcome at a high temperature. Our studies show that the singly dispersed metal atoms on an inert support have great potential to perform selective transformation of chemicals. Lastly, the confirmed catalysis with a singly dispersed Rh 1 on SiO 2 through a mechanism different from a metal nanoparticle supported on the same substrate suggests the significance of taking the single-atom catalysis (SAC) into fundamental studies of catalysis of a supported metal catalyst, since metal nanoparticles and singly dispersed metal atoms likely coexist on the inert support of many supported catalysts.
Multi-Step Lithiation of Tin Sulfide: An Investigation Using In Situ Electron Microscopy
Two-dimensional metal sulfides have been widely explored as promising electrodes for lithium ion batteries since their two-dimensional layered structure allows lithium ions to intercalate between layers. For tin disulfide, the lithiation process proceeds via a sequence of three different types of reactions: intercalation, conversion, and alloying but the full scenario of reaction dynamics remains nebulous. In this paper, we investigate the dynamical process of the multi-step reactions using in situ electron microscopy and discover an intermediate rock-salt phase with the disordering of Li and Sn cations, after the initial 2-dimensional intercalation. The disordered cations occupy all the octahedral sites and block the channels for intercalation, which alter the reaction pathways during further lithiation. Our first principles calculations of the non-equilibrium lithiation of SnS2 corroborate the energetic preference of the disordered rock-salt structure over known layered polymorphs. The in situ observations and calculations suggest a two-phase reaction nature for intercalation, disordering, and following conversion reactions. In addition, in situ de-lithiation observation confirms that the alloying reaction is reversible while the conversion reaction is not, which is consistent to the ex situ analysis. This work reveals the full lithiation characteristic of SnS2 and sheds light on the understanding of complex multistep reactions in two-dimensional materials.
Stability of the interorbital-hopping mechanism for ferromagnetism in multi-orbital Hubbard models
The emergence of insulating ferromagnetic phase in iron oxychalcogenide chain system has been recently argued to be originated by interorbital hopping mechanism. However, the practical conditions for the stability of such mechanism still prevents the observation of ferromagnetic in many materials. Here, we study the stability range of such ferromagnetic phase under modifications in the crystal fields and electronic correlation strength, constructing a theoretical phase diagram. We find a rich emergence of phases, including a ferromagnetic Mott insulator, a ferromagnetic orbital-selective Mott phase, together with antiferromagnetic and ferromagnetic metallic states. We characterize the stability of the ferromagnetic regime in both the Mott insulator and the ferromagnetic orbital-selective Mott phase forms. We identify a large stability range in the phase diagram at both intermediate and strong electronic correlations, demonstrating the capability of the interorbital hopping mechanism in stabilizing ferromagnetic insulators. Our results may enable additional design strategies to expand the relatively small family of known ferromagnetic insulators.
Cycloalkane-rich sustainable aviation fuel production via hydrotreating lignocellulosic biomass-derived catalytic fast pyrolysis oils
Sustainable aviation fuel (SAF) produced from lignocellulosic biomass is emerging as an ideal alternative to conventional jet fuel for aviation sector decarbonization. Catalytic fast pyrolysis (CFP) can convert lignocellulosic biomass into relatively stable bio-oil that can be selectively transformed to various transportation fuels through hydroprocessing under conditions of different severities. In this contribution, two CFP oils produced from pine-based feedstocks over different types of catalysts (i.e., ZSM-5 and Pt/TiO 2 catalysts) were hydrotreated at 125 bar in a non-isothermal process with a maximum temperature of 385 °C over a sulfided NiMo/Al 2 O 3 catalyst to produce SAF with high cycloalkane concentrations of 89–92 wt%. Cycloalkanes are an important component of jet fuel with advantageous fuel properties, such as high energy density, low sooting, and potential for replacing aromatic hydrocarbons to provide good seal swelling properties. The hydrotreating process successfully converted 91–92% of the biogenic carbon in the CFP oil intermediates to liquid-phase hydrotreated products. Through distillation, 39–40 wt% of the hydrotreated oils were collected in the jet-fuel range as SAF fractions. The rest of the hydrotreated product could be valorized as fuels (e.g., diesel) or chemicals. The SAF fractions with oxygen contents below the detection limit (<0.01 wt%) met ASTM D7566 finished fuel blend and D4054 Tier 1 specifications with respect to density, lower heating value (LHV), volatility, flash point, and freeze point. These results indicate hydrotreating lignocellulosic biomass-derived CFP oil as a promising pathway to produce high-quality SAF rich in cycloalkanes. Continued research is required to increase the SAF yield by process improvements, such as increased CFP oil yields, and an enhanced production of SAF-range molecules via e.g., cracking of high-molecular weight compounds either during CFP or hydrotreating, as well as evaluation of a broader range of jet fuel properties and performance requirements.
Electronic properties of monolayer tungsten disulfide grown by chemical vapor deposition
We demonstrate chemical vapor deposition of large monolayer tungsten disulfide (WS 2 ) (>200 μm). Photoluminescence and Raman spectroscopy provide insight into the structural and strain heterogeneity of the flakes. We observe exciton quenching at grain boundaries that originate from the nucleation site at the center of the WS 2 flakes. Temperature variable transport measurements of top-gated WS 2 transistors show an apparent metal-to-insulator transition. Variable range and thermally activated hopping mechanisms can explain the carrier transport in the insulating phase at low and intermediate temperatures. The devices exhibit room-temperature field-effect electron mobility as high as 48 cm 2 /V.s. The mobility increases with decreasing temperature and begins to saturate at below 100 °K, possibly due to Coulomb scattering or defects
Gapless spin liquid and pair density wave of the Hubbard model on three-leg triangular cylinders
We study the ground state properties of the Hubbard model on three-leg triangular cylinders using large-scale density-matrix renormalization group simulations. At half-filling, we identify an intermediate gapless spin liquid phase, which has one gapless spin mode and algebraic spin–spin correlations but exponential decay scalar chiral–chiral correlations, between a metallic phase at weak coupling and Mott insulating dimer phase at strong interaction. Upon light doping the gapless spin liquid, the system exhibits power-law charge-density-wave (CDW) correlations but short-range single-particle, spin–spin, and chiral–chiral correlations. Similar to CDW correlations, the superconducting correlations also decay in power-law but oscillate in sign as a function of distance, which is consistent with the striped pair-density wave. When further doping the gapless spin liquid phase or doping the dimer order phase, another phase takes over, which has similar CDW correlations but all other correlations decay exponentially.
Constraining ν-process production of fluorine through cosmic ray nucleosynthesis
ABSTRACT Fluorine is massive enough that it is not considered to be a light (Z ≤ 5) element, yet compared to its near neighbours, C, N, O, and Ne, it is far underproduced in the course of stellar evolution, making its origin more complex. In fact, the abundance of fluorine is the lowest among all elements between Z = 5 and 21 and is roughly 3–4 orders of magnitude below that of C, N, O, and Ne. There are several plausible sources for F beyond standard stellar evolution. These include the production in the asymptotic giant branch phase (AGB) in intermediate-mass stars, production in Wolf–Rayet stars, and the production through neutrino spallation in supernovae. The latter, known as the ν-process, is an important source for 11B, and may contribute to the abundance of 7Li as well. We combine a simple model of Galactic chemical evolution with a standard Galactic cosmic ray nucleosynthesis model to treat self-consistently the evolution of the Li, Be, and B isotopes. We include massive star production of F, as well as contributions from AGB stars, and the ν-process. Given the uncertainties in neutrino energies in supernovae, we normalize the ν-process using the observed 11B/10B ratio as a constraint. As a consequence, we are able to determine the relative importance of each contribution to the F abundance. We find that although the ν-process dominates at early times (low metallicity), the present-day F abundance is found to originate primarily from AGB stars.
Electronic spectra with paramagnon fractionalization in the single-band Hubbard model
We examine spectral properties of a recently proposed theory of the intermediate temperature pseudogap metal phase of the cuprates. We show that this theory can be obtained from the familiar paramagnon theory of nearly antiferromagnetic metals by fractionalizing the paramagnon into two “hidden” layers of S = 1 / 2 spins. The first hidden layer of spins hybridizes with the electrons as in a Kondo lattice heavy Fermi liquid, whereas the second hidden layer of spins forms a spin liquid with fractionalized spinon excitations. Here, we compute the imaginary part of the electronic self-energy induced by the spinon excitations.
High-Power AlGaAs Quantum-Well Lasers On Si Substrates
AlxGa1-xAs lasers of graded-index-of-refraction, separate-confinement-heterostructure, single-quantum-well type fabricated on silicon substrates by migration-enhanced molecular-beam epitaxy followed by metalorganic vapor-phase epitaxy. They are intermediate products of continuing effort to develop low-threshold-current, high-efficiency lasers for parallel optical interconnections between large-scale optoelectronic integrated circuits.
Conservation laws and effective hadronization models
Hadronization models based on local string-breaking dynamics are typically Markovian by construction, yet the physical ensemble of final states is shaped by global constraints that couple the entire fragmentation trajectory. Recasting hadronization as a conditioned stochastic diffusion process provides a precise mathematical resolution to this tension. In particular, this language reveals explicitly that constraints stemming from conservation laws induce non-Markovian correlations between otherwise independent fragmentation steps, and that these correlations can be absorbed exactly into a renormalization of the local dynamics through a Doob $h$-transform. We develop this formalism for a $q\bar{q}$ string in the chiral limit, where the longitudinal-transverse factorization of the Lund kernel becomes exact, enabling systematic power counting and clean ultraviolet (UV)/infrared (IR) separation. The dynamics organize naturally into a tower of effective theories distinguished by the remaining string mass, spanning a UV fixed point with scale-invariant transport coefficients, an intermediate regime where transverse phase space induces controlled running, and an IR boundary layer where non-local effects enter at leading order. The tower exhibits genuine Wilsonian structure, including $β$-functions, anomalous dimensions, and systematic matching conditions. The resulting framework achieves a clean factorization of universal microscopic fragmentation dynamics from infrared constraint effects, and opens new directions for both the theoretical analysis and practical simulation of hadronization.
Observation of Fundamental Mechanisms in Compression-Induced Phase Transformations Using Ultrafast X-ray Diffraction
As theoretically hypothesized for several decades in group IV transition metals, we have discovered a dynamically stabilized body-centered cubic (bcc) intermediate state in Zr under uniaxial loading at sub-nanosecond timescales. Under ultrafast shock wave compression, rather than the transformation from α-Zr to the more disordered hex-3 equilibrium ω-Zr phase, in its place we find the formation of a previously unobserved nonequilibrium bcc metastable intermediate. We probe the compression-induced phase transition pathway in zirconium using time-resolved sub-picosecond x-ray diffraction analysis at the Linac Coherent Light Source. We also present molecular dynamics simulations using a potential derived from first-principles methods which independently predict this intermediate phase under ultrafast shock conditions. In contrast with experiments on longer timescale (> 10 ns) where the phase diagram alone is an adequate predictor of the crystalline structure of a material, our recent study highlights the importance of metastability and time dependence in the kinetics of phase transformations.
The Strategy for the Second Phase of Aerobraking Mars Global Surveyor
On February 19, 1999, the Mars Global Surveyor (MGS) spacecraft was able to propulsively establish its mapping orbit. This event followed the completion of the second phase of aerobraking for the MGS spacecraft on February 4, 1999. For the first time, a spacecraft at Mars had successfully employed aerobraking methods in order to reach its desired pre-launch mapping orbit. This was accomplished despite a damaged spacecraft solar array. The MGS spacecraft was launched on November 7, 1996, and after a ten month interplanetary transit was inserted into a highly elliptical capture orbit at Mars on September 12, 1997. Unlike other interplanetary missions, the MGS spacecraft was launched with a planned mission delta-V ((Delta)V) deficit of nearly 1250 m/s. To overcome this AV deficit, aerobraking techniques were employed. However, damage discovered to one of the spacecraft's two solar arrays after launch forced major revisions to the original aerobraking planning of the MGS mission. In order to avoid a complete structural failure of the array, peak dynamic pressure levels for the spacecraft were established at a major spacecraft health review in November 1997. These peak dynamic pressure levels were roughly one-third of the original mission design values. Incorporating the new dynamic pressure limitations into mission replanning efforts resulted in an 'extended' orbit insertion phase for the mission. This 'extended' orbit insertion phase was characterized by two distinct periods of aerobraking separated by an aerobraking hiatus that would last for several months in an intermediate orbit called the "Science Phasing Orbit" (SPO). This paper describes and focuses on the strategy for the second phase of aerobraking for the MGS mission called "Aerobraking Phase 2." This description will include the baseline aerobraking flight profile, the trajectory control methodology, as well as the key trajectory metrics that were monitored in order to successfully "guide' the spacecraft to its desired mapping orbit. Additionally, the actual aerobraking progress is contrasted to the planned aerobraking flight profile. (A separate paper will describe the navigation aspects of MGS aerobraking in detail.) Key to the success of the MGS mission is the delivery of the spacecraft to its final mapping orbit and the synergy the instrument complement provides to its scientific investigators when science data is returned from that orbit. The MGS mapping orbit is characterized as a low altitude, near-circular, near-polar orbit that is Sun-synchronous with the descending equatorial crossing at 2:00 AM local mean solar time (LMST).
Two first-order phase transitions in hybrid compact stars: Higher-order multiplet stars, reaction modes, and intermediate conversion speeds
We study compact stars with hybrid equations of state consisting of a nuclear outer region and two nested quark phases, each separated from the lower density phase by a strong first-order phase transition. The stability of these models is determined by calculating their radial oscillation modes with different conversion rates between adjacent phases and hence junction conditions for the modes at the phase separation interface between them. In the case when the timescale of transition is faster than the period of oscillations, we recover the traditional stability criterion implying that ∂M/∂ρ c > 0 on the stable branch(es), where M is the mass and ρ c is the central density. In the opposite limit of slow conversion, we find stable stellar multiplets beyond triplets consisting of stars that are stable by the usual criterion plus slow-conversion (denoted by s) hybrid stars with ∂M/∂ρ c < 0 that are stabilized due to an alternative junction condition on the fluid displacement field at the interface reflecting the slow rate of conversion. We also study the properties of the reaction mode, the radial mode that only exists for stars with rapid (abbreviated by r) phase transitions, in stars with either two rapid phase transitions or alternating rapid and slow phase transitions for the first time. Here, the implications of alternative junction conditions are also examined, with these conditions generally being found to provide stability properties similar to those for a slow conversion rate.