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We propose a metal–organic-framework-derived high-performance Fe–N–C electrocatalyst for Li–CO2 batteries. Abundant atomically Fe–Nx active sites were formed in the porous carbon framework to provided catalytical sites with high activity.

Two-dimensional (2D) materials with the advantage of low interlayer shear strain are ultilized as lubricants in aerospace and precision manufacturing. Moire superlattices (MSL), with attractive physical properties of electronic structures, interlayer hybridization and atomic forces, have been widely investigated in superlubricity, which is caused by elimination of interlayer lock-in by incommensurate atomic reconstruction. Although the foundations of superlubricity and the development of 2D lubricants via vanishing friction have been investigated, it is still important to comprehensively reveal the influence of MSL on the interlayer van der Waals (vdW) interactions of 2D lubricants. Here, the contributions of lattice distortions of solute-doped twisted bilayers (Mo, X)S2 (X = Al, Ti, V and Cr) to superlubricity are comprehensively investigated by high-throughput modelling and DFT-D2 calculations. It is revealed that the lattice distortion not only breaks the interlayer balance of repulsion and van der Waals interactions but also yields layer corrugation. These layer-corrugation-induced changes of the interlayer interactions and spacing distances are utilized to optimize lubricity, which matches with the experimental friction coefficients in the order of (Mo, Al)S2 > (Mo, Cr)S2 > MoS2 >(Mo, V)S2 >(Mo, Ti)S2. The evolutions of the band structures show an exponential relationship of the band edge width and layer deformations, paving a path to accelerate the development of advanced superlubricity materials via lattice distortions.

Li-CO

Utilization of solar energy is very important for alleviating the global energy crisis; however, solar-to-electric energy conversion in a compact battery is a great challenge. High charging overpotential of conventional aprotic Li-O2 batteries still restricts their practical application. Herein, we propose a photo-involved rechargeable Li-O2 battery to not only realize direct solar-to-electric energy conversion/storage but also address the overpotential issue. In this photo-involved battery system, the g-C3N4-decorated WO3 nanowire array (WO3@g-C3N4 NWA) heterojunction semiconductor is used as both the photoelectrode and oxygen electrode. Upon charging under visible-light irradiation, the photoexcited holes and electrons are in situ generated on the WO3@g-C3N4 NWA heterojunction cathode. The fabrication of the heterojunction can distinctly reduce the recombination rate between electrons and holes, while photon-generated carriers are effectively and quickly separated and then migrate under a large current density. The discharge product (Li2O2) can be oxidized to O2 and Li+ with a reduced charging voltage (3.69 V) by the abundant photoexcited holes, leading to high energy efficiency, good cycling stability and excellent rate capability. This newly photo-involved reaction scheme could open new avenues toward the design of advanced solar-to-electric energy conversion and storage systems.

Two-dimensional (2D) materials with the advantage of low interlayer shear strain are ultilized as lubricants in aerospace and precision manufacturing. Moiré superlattices (MSL), with attractive physical properties of electronic structures, interlayer hybridization and atomic forces, have been widely investigated in superlubricity, which is caused by elimination of interlayer lock-in by incommensurate atomic reconstruction. Although the foundations of superlubricity and the development of 2D lubricants

Utilization of solar energy is very important for alleviating the global energy crisis; however, solar-to-electric energy conversion in a compact battery is a great challenge. High charging overpotential of conventional aprotic Li-O

Two-dimensional (2D) magnets with room temperature ferromagnetism and semiconductors with moderate band gap and high carrier mobility are highly desired for applications in nanoscale electronics and spintronics. By performing the first-principles calculations, we investigate novel Fe, Co, Ni carbide based pristine (M2C) and functionalized (M2CT2, T: F, O, OH) MXenes. Our calculations show that Fe2C, Co2C, Ni2C, Fe2CF2, Fe2CO2, Fe2C(OH)2, Co2CF2, Co2C(OH)2 and Ni2CF2 are dynamically and mechanically stable. More importantly, Fe2C, Co2C, Fe2CF2 and Fe2C(OH)2 exhibit intrinsic ferromagnetism (magnetic moments 2-5μB per unit cell). Monte Carlo simulations suggest high Curie temperatures of 590 and 920 K for Fe2C and Fe2CF2, respectively, at the HSE06 level owing to the large spin magnetic moments and strong ferromagnetic coupling. Based on the deformation potential theory, we predict high and anisotropic hole mobility (0.2-1.4 × 104 cm2 V-1 s-1) for semiconducting Fe2CO2 and Co2C(OH)2. Additionally, Ni2CF2 demonstrates highly anisotropic electron mobility together with a direct band gap. Our results further show the effectiveness of surface functionalization in modulating the electronic and magnetic properties and broadening the properties of MXenes to achieve long-range intrinsic ferromagnetism well above room temperature and high carrier mobility.

Electrocatalysts for hydrogen oxidation and methanol oxidation are the heart of the proton exchange membrane fuel cell. In spite of tremendous efforts, developing low-cost anodic electrocatalysts with high catalytic activity and corrosion resistance is still a great challenge. Here, we report a nanocomposite consisting of oriented WO3 nanorods grown in ordered mesoporous carbon as a high-performance functional catalyst carrier for proton exchange membrane fuel cells. As a result of the catalytic graphitization effect of tungsten compounds, the degree of graphitization and conductivity of mesoporous carbon film were improved even at a low temperature. Furthermore, compared with ordered mesoporous carbon, ordered mesoporous C-WO3 nanocomposites possess favorable hydrophilicity, excellent corrosion resistance and notable electrocatalytic activities. The unusual electrocatalytic activities arise from the ideal physical properties of the carrier and synergetic catalysis between Pt and WO3.