The rapid advancement of alkali-metal ion batteries demands robust anode platforms combining high specific capacities with rapid charge-discharge kinetics. Using first-principles density functional theory (DFT), we systematically evaluate two-dimensional (2D) hexagonal BX3 (X = P, As) monolayers as high-performance dual-use anodes for lithium-ion (LIBs) and sodium-ion batteries (SIBs). Both metallic host architectures display strong thermodynamic affinities for Li+ and Na+ adsorption, favoring the hollow H3 site through synergistic ionic charge transfer and orbital hybridization. Climbing image nudged elastic band (CI-NEB) calculations reveal low direct H3 -> H3 diffusion barriers: 0.40 eV (BP3) and 0.26 eV (BAs3) for Li+, and 0.26 eV (BP3) and 0.19 eV (BAs3) for Na+, confirming exceptional high-rate kinetics. Thermodynamic convex hulls establish maximum stable lithiation at Li3BX3, yielding low average operating potentials of 0.39 V (BP3) and 0.35 V (BAs3) alongside theoretical specific capacities of 775 mAh/g and 341 mAh/g, respectively, with BP3 doubling commercial graphite (372 mAh/g). For SIBs, multi-layer sodiation expands storage up to Na15BP3 and Na12BAs3, delivering ult
H3S, LaH10, and hydrogen-based compounds have garnered significant interest due to their high-temperature superconducting properties. However, the requirement for extremely high pressures limits their practical applications. In this study, YH4 is adopted as a base material, with partial substitution of Yttrium (Y) by Scandium (Sc), Lanthanum (La), and Zirconium (Zr). Pure YH4, stable at 120 GPa, exhibits a critical temperature (Tc) of 84-95 K. Substituting half of the Y atoms increases Tc to 124.43 K for (Y,Sc)H4 at 100 GPa but reduces it to 101.24 K for (Y,La)H4 at 120 GPa. In contrast, (Y,Zr)H4 at 200 GPa shows a further suppressed Tc of 69.55 K. The remarkable superconductivity in (Y,Sc)H4 might be related to its unique phonon dispersion without optical-acoustic gap, compressed Y-H bonds, and significant electron delocalization under pressure, collectively boosting electron-phonon interactions. Furthermore, the lowest optical phonons play a crucial role in the superconductivity of these materials. This work suggests that substituting Y with same-group metal elements is an effective strategy to enhance Tc in hydride superconductors.
The discovery of near-room-temperature superconductivity in H3S sparked experimental and theoretical studies of highly compressed hydrides with the aim of obtaining room-temperature superconductivity. There are two dominant hydride classes where the search is ongoing: the first class is the covalently bonded hydrides (which is represented by H3S), and the second class is the clathrate-type hydrides (which is represented by LaH10, YH6, CaH6). Recently, the third class of superconducting hydrides, where the hydrogen remains its molecular form, has been discovered. This class is represented by BaH12 and BiH4. Here, we analyzed experimental data for the BaH12 and BiH4. We found that the BaH12 exhibits grains of an average size of 26 nm and a low level of microstrain 0.1%, in the range of 126 GPa < P < 160 GPa. We also derived the Debye $Θ_D$ and Einstein $Θ_E$ temperatures, and the electron-phonon coupling constant $Λ_{e-ph} $ in BaH12 and BiH4. The $Λ_{e-ph} $ in BiH4 significantly differs from the values obtained by first-principles calculations. The derived Fermi temperature $T_F = 20,000 K$ for BiH4 positions this molecular hydride between the unconventional and conventional
Compressed hydrides are promising candidates for high-temperature superconductivity, yet achieving simultaneous structural stability and high-Tc at low pressures remains challenging. Here, we introduce a new mechanism for accomplishing this goal by mimicking the bonding characteristics of high-pressure H3S within metal hydrides. Using Li3CuH4 as an example, its Cu-H covalent interaction effectively mimics the core function of the S-H bonding in H3S. This interaction not only induces a high hydrogen-derived electronic density of states at the Fermi level, but also softens the hydrogen phonon modes, thereby significantly enhancing the electron-phonon coupling. Furthermore, embedding the strongly ionic Li3H lattice into the covalent Cu-H framework stabilizes the structure at significantly low pressures via a chemical-template effect, while maintaining high-Tc. Li3CuH4 exhibits excellent thermodynamic stability at 20 GPa, with a Tc of 39.25 K at 12 GPa. Further comprehensive high-throughput studies on Li3MH4 (M = transition metal) compounds uncover general principles applicable to a broader range of compounds. This work establishes a new paradigm for the simultaneous optimization of th
The hydrogen ions in the superionic ice can move freely, playing the role of electrons in metals. Its electromagnetic behavior is the key to explaining the anomalous magnetic fields of Uranus and Neptune. Based on the ab initio evolutionary algorithm, we searched for the stable H4O crystal structure under pressures of 500-5000 GPa and discovered a new layered chain $Pmn2_1$-H$_4$O structure with H$_3$ ion clusters. Interestingly, H3 ion clusters rotate above 900 K (with an instantaneous speed of 3000 m/s at 900 K), generating an instantaneous magnetic moment ($10^{-26}$ Am$^2 \approx 0.001 μ_B$). Moreover, H ions diffuse in a direction perpendicular to the H-O atomic layer at 960-1000 K. This is because the hydrogen oxygen covalent bonds within the hydrogen oxygen plane hinder the diffusion behavior of H$_3$ ion clusters within the plane, resulting in the diffusion of H$_3$ ion clusters between the hydrogen oxygen planes and the formation of a one-dimensional conductive superionic state. One-dimensional diffusion of ions may generate magnetic fields. We refer to these two types of magnetic moments as "thermal-induced ion magnetic moments". When the temperature exceeds 1000 K, H ion
In this study, we employ first-principles density functional theory (DFT) calculations to investigate the electrochemical properties of Nb2C and Nb2CO2 MXenes as potential anode materials for sodium-ion (SIBs) and lithium-ion batteries (LIBs). Our findings reveal that Li and Na intercalation primarily modifies the electronic properties of Nb2C without inducing significant structural distortions, as indicated by Raman intensity variations. Adsorption energy calculations show that the T4 and H3 sites are the most favorable for metal intercalation, with Nb2CO2 exhibiting stronger adsorption due to oxygen functionalization. We find that Nb2C offers lower diffusion barriers, especially for Na ions, making it a promising candidate for fast-charging SIBs. In contrast, Nb2CO2 enhances charge retention through stronger electrostatic interactions but introduces higher migration resistance. Electronic structure analysis confirms the metallic nature of both MXenes, ensuring efficient electron transport. Open-circuit voltage (OCV) calculations indicate that Nb2CO2 exhibits higher OCV values than Nb2C, highlighting the role of surface functionalization in tuning electrochemical performance. Our
Discovery of superconductivity at megabar (MB) pressures in hydrogen sulfide H3S, then in metal polyhydrides, starting with binary, LaH10, etc., and ending with ternary ones, including (La, Y)H10, revolutionized the field of condensed matter physics. These discoveries strengthen hopes for solution of the century-old problem of creating materials that are superconducting at room temperature. In experiments performed over the past 5 years at MB pressures, in addition to the synthesis of hydrides itself, their physical properties were studied using optical, X-ray and Mossbauer spectroscopy, as well as galvanomagnetic measurement techniques. This paper presents the major results of galvanomagnetic studies, including measurements in high static (up to 21T) and pulsed (up to 70T) magnetic fields. Measurements of resistance drops to vanishingly small level at temperatures below the critical Tc value, a decrease in the critical temperature Tc with increasing magnetic field, as well as diamagnetic screening, indicate the superconducting state of the polyhydrides. The results of measurements of the isotope effect, together with the effect of magnetic impurities on Tc, indicate the electron-p
Our understanding of the assembly timeline of the Milky Way has been transforming along with the dramatic increase in astrometric and spectroscopic data available over the past several years. Many substructures in chemo-dynamical space have been discovered and identified as the remnants of various galactic mergers. To investigate the timeline of these mergers we select main sequence turn off & subgiant stars (MSTOs) from the H3 survey, finding members in seven metal poor components of the halo: GSE, the Helmi Streams, Thamnos, Sequoia, Wukong/LMS-1, Arjuna, and I'itoi. We also select out the metal poor in situ disk to facilitate comparison to the evolution of the Milky Way itself at these early epochs. We fit individual isochrone ages to the MSTOs in each of these substructures and use the resulting age distributions to infer simple star formation histories. For GSE we resolve an extended star formation history that truncates $\approx10$ Gyr ago, as well as a clear age -- metallicity relation. From this age distribution and measured star formation history we infer that GSE merged with the Milky Way at a time $9.5-10.2$ Gyr ago, in agreement with previous estimates. We infer tha
The identification of new materials with superconducting properties is the pursuit in the realm of superconductivity research. Here, excitedly, we show that the simplest salt daily used can be made a superconductor at normal pressure only by adjusting its stoichiometry of Na and Cl as Na3Cl at normal pressure based on first-principles calculations. This bulk stable abnormal Na-Cl stoichiometric crystal of 3:1, the first 'magic' ratio, includes metallic (Na) atoms in the core as well as hybridization of ionic and metallic bonding, facilitating the electron-phonon-coupling for superconductivity with a critical temperature Tc of 0.13 K. The flat bands and van Hove singularities near the Fermi level produce large densities of states, similar to H3S and LaH10, which is beneficial for the emergence of superconductivity. The crystal composed of with abnormal Na-Cl magic stoichiometry is a precisely tunable, purely sodium and chloride-based, three-dimensional bulk superconductor, which is therefore an ideal material for designing and understanding abnormal stoichiometric crystals. The methodology of constructing this bulk abnormal crystal may be general to almost all elements, which could
The proto-Milky Way epoch forms the earliest stars in our Galaxy and sets the initial conditions for subsequent disk formation. Recent observations from APOGEE and H3 surveys showed that the [$α$/Fe] ratio slowly declined between [Fe/H] $=-3$ and $-1.3$ until it reached the lowest value ($\sim 0.25$) among the selected in situ metal-poor stars that most likely formed during the proto-Galaxy epoch. [$α$/Fe] rose to meet the traditional high value commonly associated with the thick disk population at [Fe/H] $=-1$. It was suggested that the rise in [$α$/Fe] could be caused by an increase in the star formation efficiency (SFE), known as the "simmering" phase scenario. However, gas inflow also plays a vital role in shaping the star formation history and chemical evolution of galaxies. We investigate this unexpected [$α$/Fe]-rise with a statistical experiment involving a galactic chemical evolution (GCE). Our model has five free parameters: the mass of the initial reservoir of the cold interstellar medium (ISM) at birth, the frequency of Type Ia supernovae (SNe Ia), the cooling timescale of the warm ISM, the SFE, and the inflow rate of fresh gas. The last two free parameters were allowed
Room temperature superconductivity is a dream that mankind has been chasing for a century. In recent years, the synthesis of H3S, LaH10 and C-S-H system has gradually made this dream a reality. But the extreme pressures required for the metallization of hydrogen-based superconductors limit their applications. In this work, we design a series of high temperature superconductors that can be stable at moderate pressures by incorporating heavy rare earth elements Yb/Lu into sodalite-like clathrate hydrides. In particular, the critical temperatures of Y3LuH24, YLuH12 and YLu3H24 are 283 K, 275 K and 288 K, respectively, which are close to or have reached room temperature, and the required pressure for stabilization of these hydrides is about 120 GPa which is significantly lower than that of reported room temperature superconductors. Our work provides an effective method for the rational design of low-pressure stabilized hydrogen-based superconductors with high-Tc and will stimulate further experimental exploration.
We use chemistry ([alpha/Fe] and [Fe/H]), main sequence turnoff ages, and kinematics determined from H3 Survey spectroscopy and Gaia astrometry to identify the birth of the Galactic disk. We separate in-situ and accreted stars on the basis of angular momenta and eccentricities. The sequence of high-alpha in-situ stars persists down to at least [Fe/H]=-2.5 and shows unexpected non-monotonic behavior: with increasing metallicity the population first declines in [alpha/Fe], then increases over the range -1.3<[Fe/H]<-0.7, and then declines again at higher metallicities. The number of stars in the in-situ population rapidly increases above [Fe/H]=-1. The average kinematics of these stars are hot and independent of metallicity at [Fe/H]<-1 and then become increasingly cold and disk-like at higher metallicities. The ages of the in-situ, high-alpha stars are uniformly very old (13 Gyr) at [Fe/H]<-1.3, and span a wider range (8-12 Gyr) at higher metallicities. Interpreting the chemistry with a simple chemical evolution model suggests that the non-monotonic behavior is due to a significant increase in star formation efficiency, which began 13 Gyr ago. These results support a pict
We report the discovery of Specter, a disrupted ultrafaint dwarf galaxy revealed by the H3 Spectroscopic Survey. We detected this structure via a pair of comoving metal-poor stars at a distance of 12.5 kpc, and further characterized it with Gaia astrometry and follow-up spectroscopy. Specter is a $25^\circ \times 1^\circ$ stream of stars that is entirely invisible until strict kinematic cuts are applied to remove the Galactic foreground. The spectroscopic members suggest a stellar age $τ\gtrsim 12$ Gyr and a mean metallicity $\langle\text{[Fe/H]}\rangle = -1.84_{-0.18}^{+0.16}$, with a significant intrinsic metallicity dispersion $σ_{ \text{[Fe/H]}} = 0.37_{-0.13}^{+0.21}$. We therefore argue that Specter is the disrupted remnant of an ancient dwarf galaxy. With an integrated luminosity $M_{\text{V}} \approx -2.6$, Specter is by far the least-luminous dwarf galaxy stream known. We estimate that dozens of similar streams are lurking below the detection threshold of current search techniques, and conclude that spectroscopic surveys offer a novel means to identify extremely low surface brightness structures.
The Milky Way's satellite galaxies ("surviving dwarfs") have been studied for decades as unique probes of chemical evolution in the low-mass regime. Here we extend such studies to the "disrupted dwarfs", whose debris constitutes the stellar halo. We present abundances ([Fe/H], [$α$/Fe]) and stellar masses for nine disrupted dwarfs with $M_{\star}\approx10^{6}-10^{9}M_{\odot}$ from the H3 Survey (Sagittarius, $Gaia$-Sausage-Enceladus, Helmi Streams, Sequoia, Wukong/LMS-1, Cetus, Thamnos, I'itoi, Orphan/Chenab). The surviving and disrupted dwarfs are chemically distinct: at fixed mass, the disrupted dwarfs are systematically metal-poor and $α$-enhanced. The disrupted dwarfs define a mass-metallicity relation (MZR) with a similar slope as the $z=0$ MZR followed by the surviving dwarfs, but offset to lower metallicities by $Δ$[Fe/H]$\approx0.3-0.4$ dex. Dwarfs with larger offsets from the $z=0$ MZR are more $α$-enhanced. In simulations as well as observations, galaxies with higher $Δ$[Fe/H] formed at higher redshifts -- exploiting this, we infer the disrupted dwarfs have typical star-formation truncation redshifts of $z_{\rm{trunc}}{\sim}1-2$. We compare the chemically inferred $z_{\rm
Scientists traced a mysterious surge of low-energy gamma rays from zinc-70 to magnetic changes occurring inside its nucleus。 The breakthrough could improve models of how stars, supernovae, and neutron star mergers create heavy elements
Silver nanocatalysts have been found to switch where they perform their most important reactions depending on whether a solid oxide cell is making electricity or hydrogen。 The discovery could enable smarter catalyst designs that boost clean power generation while making green hydrogen more energy-efficient
A new 3D printing technique can produce exceptionally hard tungsten carbide cobalt while using less of its expensive raw materials。 By softening rather than fully melting the material, researchers created defect-free samples with industrial-grade hardness and opened the door to more efficient manufacturing