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Efficient hydrogen production is a major societal challenge. Here the authors use operando neutron diffraction to quantitatively support the operating principle of a memory reactor that allows super-equilibrium operation of the water–gas shift reaction, which can also be used for steam methane reforming.

The thermoelectric properties of SnSe are attributed to a high-temperature phase transition, whose nature has not been resolved. Here the authors probe the transition at different length scales using neutron pair distribution function analysis and diffraction data, revealing a dynamic order-disorder nature, and shedding light on previous discrepancies.

N-type sulfides are attractive solar-to-hydrogen photocatalysts but have faced challenges with overall water splitting. Here, the authors report that tailored surfaces and cocatalysts enable sulfides to achieve efficient, stable, and safe production of separate streams of stoichiometric hydrogen and oxygen.

While solid-state lithium-ion batteries offer promising energy densities for safe energy storage, typical solid electrolytes show poor room-temperature ionic conduction. Now the origin of the superionic transition observed in Li₃YCl₆-type Li-ion conductors is revealed by in-depth crystal structure characterizations and improved ionic conductivities achieved by lowering the transition temperature.

Ti3O5 can switch between metallic and insulating phases but its origin and the link between the phase coexistence and dynamics remain unknown. Here, time-resolved X-ray diffraction and numerical simulations were used to observe how heat-driven transition in laser excited Ti3O5 crystallites occur in space and time.

Previous models explain solid-solution strengthening by differences in atomic volume and electronegativity of the constituent atoms. Here, the authors consider both factors simultaneously and identify atomic volume as the dominant factor for FCC alloys.

Frustration in lattices of interacting spins can lead to rich and exotic physics, such as fractionalized excitations and emergent order. Here, the authors demonstrate a low-temperature transition from a disordered spin-ice-like phase to an emergent charge ordered phase in the bulk kagome Ising magnet Dy₃Mg₂Sb₃O₁₄.

Chemical order/disorder in materials can be difficult to determine for atoms with similar X-ray scattering factors and neutron scattering lengths. Here authors use resonant XRD and NMR to elucidate hidden Mo/Nb chemical order in disordered hexagonal perovskite Ba₇Nb₄MoO₂₀, with Mo atoms found to be localized near the ion-conducting oxygen deficient layer.

The surface of Mars exhibits intriguing outcrops of layered Fe sulfate minerals that transformed through heating. This study combines lab analyses and remote sensing at Mars to advance the understanding of active chemistry and geothermal processes.

Miniaturized ceramic fuel cells are attractive for portable devices, but performance should be optimized. Here the authors report a micro-monolithic ceramic cell design for a tubular solid oxide fuel cell containing a multi-channel anode support with enhanced power density and stable operation.

Shocked compression experiments support the melt line of nickel above that of iron, as recently theorised, which helps to constrain the behavior of nickel at conditions relevant to Earth’s core where it makes up 5-20 wt %

Atomic distribution in high-pressure water ice are directly observed, via neutron powder structure analysis, found hydrogen bonds become symmetric at pressures about 80 GPa, marking the transition from ice VII to ice X.

Ultrafast control of materials draws interest. Here, the authors extend X-ray powder diffraction to the femtosecond timescale to follow the photo-induced semiconductor to metal transition in titanium pentaoxide, observing a phase front that moves at the speed of sound and proposing a little explored mechanism.

O3-type layered oxides are promising intercalative electrode materials for Na-ion batteries. Here, authors analyze the interlayer spacings of a family of oxides and propose an intrinsic structural parameter to serve as a measure of cycling stability.

Quasicrystals lack translational symmetry but display rotational order. Whether antiferromagnetic order can exist in quasicrystals has been unclear. Now, long-range antiferromagnetic order is shown in the icosahedral quasicrystal Au₅₆In_28.5Eu_15.5.

Ni-rich layered cathode materials are promising for high-energy-density Li-ion batteries, but their degradation mechanisms are still poorly understood. A structure-driven mechanism with a lowered accessible state of charge after repetitive cycling is proposed for a typical NMC811 cathode.

We report a strategy that yields thermally and hydrothermally stable silicates by expansion of a one-dimensional silicate chain with an intercalated silylating agent that separates and connects the chains.

Oxide-ion conductors are important in various applications for clean energy. Here, authors report high oxide-ion conductivity of hexagonal perovskite-related oxide Ba₇Nb_3.9Mo_1.1O_20.05, which is ascribed to the interstitialcy diffusion and low activation energy for oxide-ion conductivity.

Reports of superconductivity in K_xPicene spurred interest in alkali-intercalated polyaromatic hydrocarbon (PAH) compounds, but their compositions and structures have remained unclear. Now crystalline K₂Pentacene and K₂Picene — neither of which are superconducting — have been prepared by mild synthesis. Structural analysis shows that the cation sites arise within the molecular layers from reorientation of the PAHs within a herringbone packing.

Vacancies are traditionally considered to play a role of phonon-defect scattering. Here, the authors show that vacancies can induce phonon softening, enhance phonon anharmonicity, and cause a dramatic reduction in the lattice thermal conductivity.

The authors present a FeCl₃ cathode design that enables all-solid-state lithium-ion batteries with a favourable combination of low cost, improved safety and good performance.

Polymer electrolyte membrane water electrolysis is more efficient than its alkaline counterpart, but its implementation, in part, hinges on developing Earth-abundant catalysts that are active and stable for the oxygen evolution reaction in acid. Now, it is shown that incorporating Mn into Co₃O₄ substantially extends the catalyst lifetime in acidic electrolyte while maintaining the activity.

In order to optimize thermoelectric (TE) materials which are used to convert thermal energy and electrical energy, the underlying physics needs to be understood. Here, the authors show that by exploiting static local structure distortion, transverse acoustic phonons can be suppressed resulting in high performing TE materials.

Cycling positive electrodes at high voltages leads to structural instability and capacity decay. Here, authors report a cationic defective electrode, Na_3.2□_0.8Co_0.5Fe_0.5V(PO_3.9F_0.1)₃, through fluorine doping with enhanced stability, reversible capacity, and fast Na⁺ (de)intercalation.

Doping of Nb₂O₅ materials without phase changes has been proven difficult, with successful doping depending on different factors such as ionic radius similarity. In this work, the authors introduce a high-entropy-doping approach to Nb₂O₅ without phase change with rapid-charging capabilities as a negative electrode for lithium-ion batteries.

The term mesocrystal describes three-dimensional crystals formed by oriented assembly and that exhibit nanoparticle substructures. Here, the authors perform detailed structural analyses on synthetic calcium carbonate/polymer crystals, and show that common signatures used to assign mesocrystals may be unreliable.

Although the search for new zeolites has traditionally been based on trial-and-error approaches, more rational methods are now available. Using the principle of inverse sigma transformation, the reactivity of framework germanium atoms in strong mineral acid has now been exploited to selectively remove germanium from a germanosilicate zeolite.

This work develops defective MnO2 catalysts with Frustrated Lewis Pairs through a coordination number reduction strategy to enhance the aerobic oxidation of various polyols/sugars to formic acid.

It is well known that to reduce dissipation in a superconductor it is necessary to introduce artificial pinning centres, that is, small regions in which superconductivity is suppressed. This is usually achieved by introducing small regions of non-superconducting phases. A new concept of pinning centres, the local suppression of superconductivity induced by strain, is now demonstrated.

Milling and grinding, long used to alter the chemical and physical properties of materials, have recently garnered interest as alternatives to traditional solution-based syntheses — but these reactions remain difficult to monitor. High-energy synchrotron X-ray radiation has now enabled the in situ observation, in real time, of solid-state transformations occurring during the mechanochemical syntheses of metal–organic frameworks.

The exact crystal chemistry of perovskites containing 5f elements has remained a matter of debate. Here, the authors synthesise a BaO-deficient Pu-based perovskite with a composition close to Ba3PuO6 and study the Pu oxidation state, the crystal structure and Ba/Pu ratio, reporting on thermodynamic and magnetic properties and offering new insights into Ba-Pu-O solid-state chemistry.

Samples returned from asteroid Bennu largely comprise hydrated sheet silicates with sulfides, magnetite and carbonate that indicate alteration by a fluid that evolved from neutral to alkaline, according to a micro- and nanoscale mineralogical study.

Using complementary linkers as building blocks in the design of 2D covalent organic frameworks (COFs) limits the formation of compositionally and structurally complex networks. Here, the authors demonstrate a COF with a bex topology by combining non-complementary triangular and rectangular linkers.

A 2D magnet CrSBr has attracted interest for applications in spintronics due to its high critical temperature and interesting magneto-electrical properties. Here the authors report a detailed study of its magnetic and structural phases and uncover a hidden magnetic order inside the magnetically-ordered phase.

The origins of increased lattice thermal conductivity in Cu-defected Cu_2-x(S, Se) remain unknown. Here, neutron diffraction performed on Cu defect-controlled Cu_2-xS shows that the anharmonicity can be tuned through Cu defects.

Low temperature chemical transformations of solids using high-energy intermediates have enabled the synthesis of a new series of layered oxide chalcogenide containing oxidised chalcogenide dimers promising a new range of solids.

Pressure- and temperature-induced phase transitions have long been studied, but little is known about the processes by which the atoms rearrange. Here, the authors presentin situmeasurements on shock compressed fused silica, revealing an amorphous to crystalline high pressure stishovite phase transition.

Oxide ion conductors are an exciting class of materials with applications in various domains. Here, the authors show that Dion–Jacobson Phases are a structure supporting high O²⁻ mobility. The bulk conductivity of CsBi₂Ti₂NbO_10−δ even exceeds that of YSZ, offering new possibilities in electrolyte discovery.

Kitaev interactions on a honeycomb lattice can potentially lead to a quantum spin liquid state. Unfortunately, materials hosting Kitaev interactions also host Heisenberg interactions favouring long range order. Here, Sakrikar, Shen, Poldi and coauthors find that the relative strength of the Heisenberg and Kitaev interactions can be tuned by pressure in Ag₃LiRh₂O₆.

Chromium nitride is very incompressible, making it ideal for industrial coatings. However, it is now shown that the material softens at high pressure and low temperature in connection with a phase transition from cubic to orthorhombic structure. The results could be fundamental in designing ways to improve the mechanical properties of superhard CrN.

Solid electrolytes can improve the safety of the next generation of high-energy batteries, but they still suffer from low ionic conductivities and stability. Li₁₀GeP₂S₁₂ exhibits high lithium ionic conductivity at room temperature and should be practically advantageous with regard to device fabrication, stability and safety.

Purification of cyclohexane serves as a feedstock to produce resins, nylon fibers and pharmaceutical intermediates. Here authors combine specific pore sizes with silanols within a zeolite framework to improve the separation of cyclohexane from benzene, addressing the challenge of their molecular size similarity.

Benzene is a genotoxic carcinogen with no safe level of exposure. Here, by creating and decorating a structural defect in a metal–organic framework to form MIL-125-Zn, a benzene uptake of 7.63 mmol g^–1 at 1.2 mbar is observed due to binding to Zn(II) sites.

Characterizing the superconducting gap structure in the high-temperature superconductor H₃S by means of tunnelling spectroscopy reveals that it, as well as D₃S, has a fully gapped structure, confirming the phonon-mediated mechanism of superconducting pairing.

The theory-guided synthesis of a tungsten-based W₂TiC₂T_x MXene from a non-MAX nanolaminated ternary carbide (W,Ti)₄C_4−y is reported. The tungsten-rich basal plane of the W₂TiC₂T_x MXene is then examined for the electrocatalytic hydrogen evolution reaction using a combined experimental and theoretical approach.