"Two-dimensional (2D) materials as electrodes" is believed to be the trend for future Li-ion and Na-ion battery technologies. Here, by using first-principles methods, we predict that recently reported borophene (2D boron sheets) can serve an ideal electrode material with high electrochemical performance both batteries. The calculations are performed on two experimentally stable structures, namely β12 χ3 structures. optimized Li Na adsorption sites identified, host found maintain good...

Nodal loop appears when two bands, typically one electron-like and hole-like, are crossing each other linearly along a one-dimensional manifold in the reciprocal space. Here we propose new type of nodal which emerges from between bands both (or hole-like) certain direction. Close to any point on such (dubbed as type-II loop), linear spectrum is strongly tilted tipped over transverse direction, leading marked differences magnetic, optical, transport responses compared with conventional...

Topological type-II nodal line semimetal (NLS) was proposed quite recently and exhibits distinct properties compared with conventional type-I NLS. To date, no ambient-condition stable candidate material has been reported. Here we propose that a Kagome compound Mg3Bi2 can host state the protection of time reversal spatial inversion symmetries. Similar to NLSs, in is characterized by drumhead surface states, which not observed previous NLSs. The open minor gap, pair 3D Dirac points occurs when...

Abstract Dual‐ion batteries (DIBs) have attracted increasing attention due to their high working voltage, low cost, and environmental friendliness, yet development is hindered by limited energy density. Pairing silicon—a most promising anode its highest theoretical capacity (4200 mAh g −1 )—with a graphite cathode feasible strategy address the challenge. Nevertheless, cycling stability of silicon unsatisfactory loss electrical contact resulting from interface stress when using rigid current...

Abstract Lithium (Li)‐metal anodes are of great promise for next‐generation batteries due to their high theoretical capacity and low redox potential. However, Li‐dendrite growth during cycling imposes a tremendous safety concern on the practical application Li‐metal anodes. Herein, an effective approach suppress by coating polypropylene (PP) separator with thin layer ultrastrong diamond‐like carbon (DLC) is reported. Theoretical calculations indicate that DLC undergoes in situ chemical...

Electrides are a unique class of electron-rich materials where excess electrons localized in interstitial lattice sites as anions, leading to range properties and applications. While hundreds electrides have been discovered recent years, magnetic received limited attention, with few investigations into their fundamental physics practical In this work, 51 (12 antiferromagnetic, 13 ferromagnetic, 26 interstitial-magnetic) were identified using high-throughput computational screening methods...

Topological metals with protected band-crossing points have been attracting great interest. Here we report topological band features in a family of metal diboride materials. Using first-principles calculations, show that these materials are metallic, and close to Fermi level, there appears coexistence one pair nodal rings triply degenerate (TNPs). The ring here is distinct from the previously studied ones its formation requires four entangled bands, not just two as previous cases, hence it...

MoN₂ monolayer is a promising electrode material for metal ion batteries with high performance.

Topological metals and semimetals are new states of matter which attract great interest in current research. Here, based on first-principles calculations symmetry analysis, we propose that the family titanium-based compounds Ti3X (X=Al, Ga, Sn, Pb) unexplored topological semimetals. These materials feature coexistence a nodal loop surface their low-energy band structure. Taking Ti3Al as an example, show material has almost ideal sense is close to Fermi level it nearly flat energy with...

Identifying applicable anode materials is a significant task for Li- and Na-ion battery (LIB NIB) technologies. We propose the GaN monolayer (2D GaN) can be good candidate. The manifests stable Li/Na adsorption inherently low theoretical voltages. Most excitingly, both high storage capacity extremely fast diffusion simultaneously realized in monolayer. For Li, barrier 938 mA h g-1 80 meV , respectively. And values Na are 625 22 meV. Comparing with known 2D similar scale of ion barriers,...

Color centers in silicon carbide have increasingly attracted attention recent years owing to their excellent properties such as single photon emission, good photostability, and long spin coherence time even at room temperature. As compared diamond which is widely used for holding Nitrogen-vacancy centers, SiC has the advantage terms of large-scale, high-quality low cost growth, well advanced fabrication technique optoelectronics, leading prospects large scale quantum engineering. In this...

A nodal loop is formed by band crossing along a one-dimensional closed manifold, with each point on the linear in transverse dimensions and can be classified as type-I or type-II depending dispersion. Here, we propose class of loops composed both points, which are hence termed hybrid loops. Based firstprinciples calculations, predict realization such existing electride material Ca2As. For loop, Fermi surface consists coexisting electron hole pockets that touch at isolated points for an...

Second‐order topological insulators (SOTIs) in 2D materials have attracted significant research interest. Recent theoretical predictions suggest that SOTIs can be achievable magnetic systems, especially within ferromagnetic (FM) materials. Yet, the quest for suitable antiferromagnetic (AFM) capable of hosting remains a challenge. Herein, utilizing first‐principles calculations and analysis, CrSBr is proposed, including monolayer bilayer forms, as promising candidate high‐order insulator. The...

Alkaline water electrolysis is considered a commercially viable option for large-scale hydrogen production. However, this process still faces challenges due to the high voltage (>1.65 V at 10 mA cm$^{-2}$) and its limited stability higher current densities inefficient electron transport kinetics. Herein, novel cobalt based metallic heterostructure (Co$_3$Mo3N/Co$_4$N/Co/Co) designed application electrolysis. Operando Raman experiments reveal that formation of Co$_3$Mo3N/Co$_4$N/Co...

Plant health states may influence the distribution of rhizosphere microorganisms, which regulate plant growth and development. In this study, response bacteria fungi healthy diseased plants compared to bulk microbes was analyzed using high-throughput sequencing. adaptation strategies under potato virus Y (PVY) infection have been studied from a microbial perspective. The diversity community structure varied between soils, but not soils. A LEfSe analysis revealed significant differences...

In this work, we present a method for scalable, targeted, and maskless fabrication of single silicon vacancy (VSi) defect arrays in carbide using focused ion beam. First, studied the photoluminescence spectrum optically detected magnetic resonance generated spin ensemble, confirming that synthesized centers were desired state. Then investigated fluorescence properties VSi defects, our measurements indicate presence photostable single-photon source. Finally, find Si2+ to conversion yield...

Triply degenerate band crossing can generate novel triply nodal point (TDNP) fermions. For the TDNP character to best manifest in physical properties, it desires that TDNPs are near Fermi level, far away with each other reciprocal space, and not coexisting quasiparticles or extraneous bands. Here we predict centrosymmetic material Li2NaN is a realistic semimetal meets all these requirements. features only single pair of at under protection C6v symmetry. Interestingly, identified here show...

NaAlSi manifests both topological band structures and superconductivity, which is promising to realize a superconducting state.

Topological semimetals and metals have been extensively studied in nonmagnetic materials, while those magnetic materials are still quite rare. Here, based on first-principles calculations, we reveal that a family of hexagonal compounds $X{\mathrm{TiO}}_{2}$ ($X$ = Li, Na, K, Rb) with ferromagnetic ground states host excellent topological electronic structures. In their low-energy band structures, they show two Weyl nodal loops surfaces, where each loop surface is contributed by the electron...

Cu 2 C N 4 sheet as a 2D topological quantum catalyst with high edge activity for the hydrogen evolution reaction.

Penta-B₂C with pretty low diffusion barriers and extremely high theoretical capacity for LIBs/NIBs.