Ru_0.01Ti_0.99Nb₂O₇, with a much larger capacity than Li₄Ti₅O₁₂, fulfils the requirements of high power and energy density for electric vehicles.

Intercalation-type TiNbxO2+2.5x (x = 2, 5, and 24) anode materials have recently become more interesting for lithium-ion batteries (LIBs) due to their large theoretical capacities of 388-402 mAh g-1. However, the Ti4+/Nb5+ ions in with empty 3d/4d orbitals usually lead extremely low electronic conductivity <10-9 S cm-1, greatly restricting practical capacity rate capability. Herein, we report a class highly conductive Cr0.5Nb24.5O62 nanowires as an intercalation-type material...

In this communication, we facily fabricated nanostructured CoP particles (150 to 200 nm) on carbon fiber paper (CFP) for hydrogen evolution reaction (HER) by a simple two-step process via green route. the first step, crystalline Co3O4 nanocubes (150–200 were loaded CFP through hydrothermal at low temperature (120 °C). Interestingly, with size 150–200 nm exhibited different growth mechanisms in contrast <100 reported earlier. second these converted catalytically active chemical vapor...

Abstract To explore anode materials with large capacities and high rate performances for the lithium-ion batteries of electric vehicles, defective Ti 2 Nb 10 O 27.1 has been prepared through a facile solid-state reaction in argon. X-ray diffractions combined Rietveld refinements indicate that same crystal structure stoichiometric 29 (Wadsley-Roth shear A2/m space group) but larger lattice parameters 6.6% 2– vacancies ( vs. all ions). The electronic conductivity Li + ion diffusion coefficient...

We report a simple one-step hydrothermal method to fabricate cobalt (Co)-doped vanadium diselenide (VSe2) nanosheets on carbon cloth for the hydrogen evolution reaction (HER) in acid solution. find that Co-doped VSe2 shows significantly enhanced catalytic activity compared with pristine VSe2, including low overpotential of 230 mV at 10 mA/cm2, small Tafel slope 63.4 mV/dec, and high stability. Our density functional theory calculations show Co dopants dramatically reduce Gibbs free energy...

Hybridized materials frequently exhibit boosting performances greater than those of the individual components in functional applications because intriguing synergistic effects. Nonetheless, preparation hybrid is often tedious, involving stepwise procedures with different synthesis approaches. To date, controlled via a one-pot CVD process has rarely been explored. In this work, herein, we report successful MoS2/VS2 by situ growing MoS2 microflowers on VS2 microflakes one-step for electrolytic...

Energy crisis and environmental pollution lead to the dual pressures of worldwide exploration for new materials applied in energy storage protection. Graphene with excellent mechanical electrochemical properties is considered a promising material solve these problems by applying conversion, desalination so on. Particularly, demand flexible, portable devices recent years, developing self-supporting hot but difficult spot. Therefore, there are lot researches on graphene-based free-standing...

Hydrogen generation by electrocatalysis water splitting is considered as one of the most promising techniques to address energy crisis and environmental pollution. Highly efficient, low-cost, stable catalysts are crucial speed sluggish kinetics hydrogen evolution reaction (HER). Molybdenum disulfide has been be a substitute Pt-based materials, but its inherently low conductivity, finite active edge sites due thermodynamically basal plane, self-stacking agglomeration properties still impede...

Abstract Reversible electrochemical mirror (REM) electrochromic devices with tunability in multiple optical states are exciting alternatives to conventional smart windows. Electrochromic studied extensively, yet widespread adoptions have not been achieved due problems associated durability, switching speed, limited options on states, and cost. In this study, a REM device based CuSn alloy is developed, which offers highly reversible between transparent, greyish‐blue, via electrodeposition...

Transparent conductors (TCs), which bring two seemingly contraindicated properties, conductivity and transparency, together into one material, enable many critical technologies. Significant successes have been achieved for $n$-type TCs, such as Sn-doped $\mathrm{I}{\mathrm{n}}_{2}{\mathrm{O}}_{3}$, but developing their $p$-type counterparts has still encountered a big challenge, mainly due to the intrinsic band structure of conventional semiconductors. Here, we propose that class wide-gap...

We report the synthesis of a spectrum highly crystalline molybdenum sulphide/oxide-based materials such as MoS2 (2-H), MoO2 and unique hybrid MoS2/MoO2 nanostructures through chemical vapour deposition (CVD). The as-fabricated samples were scrutinized with characterization techniques. Our results reveal that, by tuning growth parameters, different demonstrate morphologies, which can be unequivocally tied to their composition. also explore potential application electrochemical catalysts, we...

$\mathrm{C}{\mathrm{o}}_{3}\mathrm{Si}$ was recently reported to exhibit remarkable magnetic properties in the nanoparticle form [B. Balasubramanian et al., Appl. Phys. Lett. 108, 152406 (2016)], yet better understanding of this material should be promoted. Here we report a study on crystal structures using an adaptive genetic algorithm and discuss its electronic from first-principles calculations. Several competing phases have been revealed our We show that hexagonal structure experiments...

It is a universal quest to produce molecular hydrogen (H2) from sustainable green routes diversify the heavy dependence of fossil fuels for energy consumption. Developing earth-abundant electrocatalysts water electrolysis promising method generate via evolution reaction (HER). In this work, we strategically promote electron transport and activate basal planes MoS2 thermal hybridization with vertically-aligned hierarchical nickel phosphide Ni5P4-Ni2P (denoted as MoS2/Ni5P4-Ni2P) HER. The...

Using the adaptive genetic algorithm (AGA) crystal structure prediction method, we explored stable/meta-stable phases of Hf3N4. A new ground-stage phase (C2/m) Hf3N4 at ambient pressure was predicted. Calculated phonon dispersion and elastic constants this showed it to be dynamically mechanically stable. We also produced a pressure–temperature diagram that included C2/m, orthorhombic Zr3N4-type (Pnam) I3d phases. Our results revealed increasing temperature would transform C2/m Pnam phases,...

To settle the safety hazard of Na metal and low capacity carbon-based anode materials for Na-ion batteries (NIBs), significant efforts have been taken to exploit novel materials, especially alloys. Here, we performed adaptive genetic algorithm (AGA) calculations study atomic structures Na–Sb alloys, which play an important role as material NIBs. Our results showed that there is only one stable intermediate phase, is, NaSb, during alloying process from Sb Na3Sb, consistent with experimental...

We applied an adaptive genetic algorithm (AGA) to search for low-energy crystal structures of Fe3S. A number with energies lower than that the experimentally reported Pnma and I-4 have been obtained from our AGA searches. These can be classified as layer-motif column-motif structures. In structures, Fe atoms self-assemble into rods a bcc type underlying lattice, which are separated by holes terminated S atoms. bulk is broken slabs several layers passivated Magnetic property calculations...

&lt;sec&gt;WC-Co cemented carbide has excellent cutting performance, which is a potential tool material. But when it used as ultra-high strength and high hardness materials, the machining accuracy service life of are significantly reduced. Graphene coating material for tools due to its mechanical properties. In this work, molecular dynamics (MD) simulate deposition nickel transition layer high-temperature catalytic growth graphene in carbide. The Ni C atomic process temperature annealing...

By using an iso-symmetry isovalent cation substitution method for designing ternary Dirac semimetals within a honeycomb structure, three stable are predicted with interesting hidden spin textures.

Present challenges in electrochromic devices include the limited transmissive and reflective inter-switchability, while achieving high optical contrast, fast switching speed, cycling stability, simultaneously.In article number 1903198, Pooi See Lee co-workers develop a quasi-solid-state tristate reversible electrochemical mirror device, which offers highly between transparent, greyish-blue, (reflective) states.The alloying approach facilitates electrodeposition dissolution of Cu film,...

We performed a systematic search for low-energy structures of binary iron silicide over wide range compositions using the crystal structure prediction method based on adaptive genetic algorithm. 36 with formation energies within 50 meV/atom (11 them are 20 meV) above convex hull formed by experimentally known stable predicted. Magnetic properties these investigated. Some can be promising candidates rare-earth-free permanent magnet.