The stability of Sn-Pb perovskite semiconductors thin films remains a major challenge for their integration into efficient and durable photovoltaic devices. In this work, we demonstrate that the incorporation of methylammonium chloride (MACl) in DMSO-free Sn-Pb precursor solutions significantly enhances both the structural and operational stability of Sn-Pb perovskite films and solar cells. MACl-processed films exhibit enhanced crystallinity, environmental stability and photostability, thus tackling the most critical instabilities related to the defect chemistry of tin in tin-based perovskites and halides in lead-based perovskites. We show that Cl- preferentially resides at the Pb0.5Sn0.5I-terminated surface, reducing the formation probability of halide interstitials, preventing I2 loss under illumination and reducing O2 uptake under ambient air exposition. As a result, solar cells incorporating MACl-treated films maintain stable performance under maximum power point tracking for over 900 h. This work highlights the crucial role of interfaces and paves the way for more durable perovskite solar cells.

Miniaturizing rectifiers using single-molecule components is a central pursuit in the post-Moore era. Yet practical applications have long been hindered by low rectification ratios, limited current outputs, and high operating voltages. Here, guided by donor-acceptor strategy and multi-field modulation, we construct three types of cyclo [n]carbon molecular rectifiers and systematically explore their transport mechanisms using non-equilibrium Green's function combined with density functional theory. By synergistically tuning intrinsic molecular dipoles, electrode-induced fields, and gate fields, both the magnitude and direction of rectification can be precisely tailored, with a record rectification performance index of 4 & times; 105 nA/V-surpassing state-of-the-art single-molecule rectifiers by 2-3 orders of magnitude. This study not only overcomes long-standing performance barriers in molecular rectification but also provides general design guidelines and meaningful insights for developing high-performance molecular electronics.

Molecular rectifiers are key functional components of molecular-scale integrated circuits, yet achieving high rectification ratios remains a longstanding challenge due to the intrinsic symmetry of resonant tunneling and the complexity of interfacial energy-level alignment. Here, we propose a rectifier design strategy based on selective Fermi-level pinning that breaks transport symmetry via pinning interactions between molecular frontier orbitals and electrodes. This framework enforces tunneling transport to be predominantly governed by unoccupied molecular orbitals, while substantially suppressing contributions from occupied states, thereby establishing a simplified and highly controllable rectification mechanism. The resulting cyclo[n]carbon-based molecular junctions exhibit giant rectification ratios exceeding 103, while retaining exceptional structural robustness against variations in both donor chain length and carbon ring size. This work reveals the critical role of selective Fermi-level pinning in molecular junctions and provides a general design principle for engineering functional single-molecule electronic devices.

A comprehensive first-principles investigation of tunable quantum transport in pyrrole-based molecular junctions is performed by using density functional theory combined with the nonequilibrium Green's function approach. When coupled to zigzag graphene nanoribbon electrodes, the pyrrole monomer/oligomer-based devices exhibit three essential transport characteristics, namely a pronounced negative differential resistance (NDR) effect, nonlinear gate-controlled modulation, and destructive quantum interference (DQI)-induced switching. The current amplitude decreases systematically with increasing oligomer length, while the peak-to-valley ratio increases, reaching a maximum of 17.36. Gate modulation effectively preserves and enhances the NDR effect, where a negative gate voltage shifts the HOMO toward the Fermi level, broadening the HOMO-dominated transmission peak and improving the stability of NDR. Furthermore, conformational rotations disrupt the π-conjugated pathway, inducing strong DQI that drastically suppresses conductance. This mechanism enables a robust molecular switching behavior, achieving an on/off ratio reaching as high as 6.48 × 103. These results establish clear structure-transport correlations and demonstrate the potential of pyrrole-based molecular junctions for highly tunable functional components in future molecular electronic devices.

Photosensitization is an effective method for increasing metal-organic frameworks (MOFs) photocatalyst performance by improving light absorption capability, energy transfer rate and charge separation efficiency. However, enhance the photosensitization efficiency by controlling the photosensitizer (PS) introduction mode remains largely known. Herein, two cases of UiO-MOFs with different PS introduction methods, benzothiadiazole (BT) encapsulated UiO-66@H2BTDB (H2BTDB: 1.8 wt%) or BT coordinated UiO-68-BTDB (H2BTDB: 66.0 wt%), are compared. Both of them have excellent photoelectric efficiency, but interestingly, UiO-66@H2BTDB with mere 1/36 BT has superior photoelectric conversion efficiency, resulting generate twofold photoactive intermediates. In addition, their photocatalytic activities were evaluated with three amine synthesis, and the results showed that UiO-66@H2BTDB has the highest twofold photocatalytic conversion efficiency and yields. Transient absorption spectroscopy and density functional theory calculations elucidate the critical role of PS-encapsulated sensitizing frameworks in facilitating efficient intraframework energy transfer and charge separation. This work demonstrates the distinct advantages of MOF encapsulated PSs over their coordinated counterparts for constructing heterogeneous photocatalysts, thereby paving the way for advanced artificial photosynthesis systems.

Two-dimensional MXenes, with their rich electronic and magnetic properties, are promising candidates for spintronics and quantum devices. However, for the key member Ti3C2, the modulation of its magnetoelectric properties through bilayer engineering remains unexplored. Here, using first-principles calculations, we systematically investigate the effects of stacking order and interlayer distance on Ti3C2 bilayers. We identify the AA and A'C stacking configurations as the two most stable structures. Both are ferrimagnetic metals, but their magnetic orders originate from distinct mechanisms: intralayer magnetic moment redistribution in the AA configuration and interlayer-charge-transfer-induced incomplete magnetic moment compensation in the A'C configuration. We demonstrate that the net magnetic moment of both bilayers can be continuously tuned by varying the interlayer distance, increasing monotonically as the distance decreases. Importantly, the metallic behavior and high conductivity remain robust against variations in interlayer distance. This work elucidates the synergistic role of stacking and interlayer coupling, offering a design pathway for tunable MXene-based magnetic devices.

Manganese-rich phospho-olivine cathode materials have attracted much attention as cathodes for lithium-ion batteries. However, the inherent shortcomings, such as low electronic and ionic conductivity, seriously hinder its large-scale commercial application. Herein, a synergistic strategy of crystal-facet modulation and Mg doping engineering is proposed to achieve high capacity, superior rate capability, and long cycle stability in LMFP. First-principles computer simulations reveal that the adsorption of SO42− on the LMFP surface results in a reduction in the energy required for the formation of the (010) planes. Thus, the synthesized LiMn0.6Fe0.4PO4 (LMFP(010)) featuring increased (010) active facet exposure exhibits faster lithium-ion transport kinetics. Additionally, Mg doping helps mitigate crystal disintegration and suppresses the Jahn-Teller effect, thereby achieving longterm cycling stability. The dual-modified LMFP possesses improved discharge capacity (161.3 mAh g−1 at 0.1C), superior rate capability (136.2 mAh g⁻¹ at 5C), and cyclic stability (90.3% capacity retention after 740 cycles at 5C). Besides, under the harsh condition of 50℃ and 5C, it still has excellent cyclic stability (84.6% capacity retention after 550 cycles). This study offers a simple and versatile strategy for designing olivine-structured Mn-rich phosphate cathode materials with exceptional rate capability and prolonged cycle life.

Fe-Ni nanowires exhibit excellent magnetic properties, making them promising candidates for spintronic and high-density storage applications. Under carbon nanotube (CNT) confinement, their structural evolution and phase behavior remain insufficiently understood. Here, we systematically investigate the solidification and structural evolution of Fe-Ni melts confined within CNTs. Molecular dynamics simulations reveal that nanoconfinement suppresses crystallization and induces amorphous solidification, leading to the formation of coaxial layered nanowires governed by the evolution of common neighbor sub-clusters (CNSs). We demonstrate that structural evolution is controlled by a density-induced structural crossover mechanism. With increasing density, the system transitions from disordered clusters to ordered coaxial structures, reaching an optimal state at ∼7 g cm-3, where packing and distortion are balanced and the potential energy is minimized. In addition, CNT diameter regulates the nanowire architecture, giving rise to distinct structural configurations and a diameter-dependent phase diagram. Finally, first-principles calculations reveal strong spin polarization and robust spin-dependent transport, highlighting the potential of these nanowires for spintronic applications. This work establishes a unified framework in which confinement and density jointly govern structural crossover in nanoconfined metallic systems, providing guidance for the design of functional nanomaterials.

The corrosion behavior of Q345qENH bridge weathering steel and Q235B low-carbon steel by employing XRD, mass gain and mass loss method, optical microscopy, SEM, CLSM, TG, XPS, and electrochemical techniques was investigated. The corrosion power function model for Q345qENH is proposed, which is divided into three stages: tau 1 (0-15 d), the stage of rapid corrosion development; tau 2 (16-40 d), the stage of rapid decline in corrosion rate; tau 3 (41-60 d), the stage of stable corrosion rate. The gamma-FeOOH was detected only within the shallow rust layer, whereas the deep rust layer exhibited increased mass proportions of alpha-FeOOH and Fe3O4. The Q345qENH possesses a denser morphological structure with higher hydrophobicity, alongside a lower corrosion current density, in comparison with Q235B at 60 d. Both steels exhibit predominantly uniform corrosion with localized pitting in minor areas. The cumulative corrosion losses of Q345qENH and Q235B were 0.031 mm and 0.045 mm, respectively, during the experimental period. Additionally, the corrosion resistance mechanism of Q345qNH is attributed to the Cr, Ni, and Cu elements acting as nucleation centres within the rust layer, fining the grain size of corrosion products while filling gaps in the rust layer.

Driven by the urgent need to address marine oil leakages, superhydrophobic sponges have emerged as highly appealing candidates for oil-water separation. However, achieving both environmental compatibility and structural stability under complex conditions remains a major challenge. Inspired by the natural hierarchical structure of goose feathers, we developed a fluorine-free, superhydrophobic-superoleophilic sponge (PDMS@HGM@TiO2 sponge) using a melamine sponge as the substrate via a simple dip-coating method. The micro–nano hierarchical roughness formed by coupling micrometer-scale hollow glass microspheres (HGMs) with nano-sized TiO2 particles is stabilized through strong Si–O–Ti bonding. This composite architecture is firmly embedded within polydimethylsiloxane (PDMS) matrix, which acts both as an adhesive and a hydrophobic modifier, ensuring durable performance.The resultant composite sponge exhibits outstanding environmental stability, retaining superhydrophobicity (water contact angle >150°) after exposure to extreme conditions such as seawater, corrosive solutions (pH 1–13), long-term UV irradiation, and mechanical turbulence. Moreover, the surface modification confers enhanced flame retardancy, improving operational safety during oil cleanup. Experimentally, the sponge achieves a high oil adsorption capacity (71.8–153.3 g·g−1) and maintains excellent reusability. Using gravity-driven and vacuum-assisted setups, it enables continuous separation of both heavy and light oils with separation efficiencies exceeding 99%. Notably, the vacuum-assisted system delivers a high flux of 760.06 L·g−1·h−1 for light oil recovery, highlighting its potential for rapid, large-scale treatment. This study reports a scalable, cost-effective, and durable solution for managing large-volume marine oily wastewater, combining robust performance with environmental compatibility.

Altermagnets exhibit nonrelativistic spin splitting without net magnetization, offering a promising platform for next-generation spintronic devices. Although altermagnetic tunnel junctions (AMTJs) represent promising realizations, their practical applications are hindered by low tunneling magnetoresistance (TMR) ratios and strong sensitivity to interfacial configurations. Here, we systematically explore the transport properties and microscopic mechanisms of AMTJs based on the d-wave altermagnet KV2Se2O. Using first-principles calculations and orbital-resolved analysis, we demonstrate that the synergy between compressed nodal-point-like spin-degenerate channels and coplanar interfacial magnetic order yields an ultrahigh intrinsic TMR above 105% for all interfacial terminations. More importantly, K-termination effectively preserves bulk spin polarization through its passivation characteristics, leading to an ultrahigh TMR up to 1012%. These results highlight the coupling between momentum-space topology and interfacial passivation as a reliable strategy for realizing giant magnetoresistive responses in altermagnetic spintronic devices.

Quasi-two-dimensional confinement can fundamentally alter the solidification pathway of metallic melts, yet the atomic-scale mechanism linking confinement size, structural ordering, and metastable phase selection remains unclear. Here, molecular dynamics simulations were performed to investigate the solidification behavior of Fe50Ni50 alloy melts confined between virtual walls with slit sizes (SS), ranging from 3.0 to 10.0 Å. The solidification transition temperature (Ts), determined from potential-energy evolution, exhibits a pronounced non-monotonic oscillation with increasing SS. A configurational-entropy transition temperature Tc, extracted from the entropy of largest standard clusters (LaSCs), shows a strong correlation with Ts, confirming that the temperature oscillation originates from local structural rearrangements rather than from a thermodynamic artifact. Structural analyses reveal that stable layer-matched regimes favor compact, coordination-uniform, FCC-dominated crystalline films, whereas layer-number transition sizes generate frustrated stacking, coordination disorder, defect enrichment, and high-energy metastable states. Representative bilayer FCC-like and BCC-like LaSCs are identified as confined structural motifs mediating phase selection. At the critical slit size of SS = 3.9 Å, Z12-like LaSCs are found to assemble into garland-like defect networks through interpenetrating connections and shared S555 CNSs. These networks are spatially correlated with lattice-orientation gradients, out-of-plane corrugation, and high von Mises shear strain, indicating shear-assisted topological reconstruction toward TCP-like LaSCs and Z12-like LaSCs. This work reveals how geometric confinement regulates solidification temperature, local cluster topology, and metastable phase selection in Fe–Ni alloy films, providing atomic-scale guidance for designing low-dimensional metallic materials.

Self-assembled monolayers (SAMs) have emerged as pivotal components for achieving high-performance perovskite solar cells (PSCs). However, most high-efficiency PSCs employing SAMs utilize Pb-based wide-bandgap (WBG) perovskites, whereas their application in tandem-compatible Pb-Sn mixed narrow-bandgap (NBG) perovskites remains scarcely documented. Herein, high-performance PSCs with Cs-based inorganic Pb-Sn absorbers are fabricated through dipole engineering via co-assembling 4-[(4-aminophenyl)diazenyl]benzenesulfonic acid (4-ASA) with Me-4PACz on NiOx. We demonstrated that 4-ASA induces intermolecular interactions with Me-4-PACz, inhibiting SAM aggregation and micelle formation. This enables the formation of co-SAMs with oriented dipole moments directed from NiOx to the perovskite, thereby effectively optimizing the energy-level alignment at the buried interface. Moreover, the co-SAMs interlayer exhibits a superior hydrophilic surface, serving as an ideal nucleation template for perovskite deposition, contributing to perovskite films with increased grain boundary groove (GBG) angles, suppressed interfacial Sn2+ oxidation, and mitigated residual tensile stress. As a result, the NBG Pb-Sn-based inorganic PSCs achieve a scanned power conversion efficiency (PCE) of 17.82% with outstanding ultraviolet irradiation and operational stability. Furthermore, by integrating NBG (1.36 eV, CsPb0.6Sn0.4I3) and WBG (1.74 eV, CsPb0.7Sn0.3IBr2) subcells, we demonstrate the first four-terminal (4 T) perovskite tandem device in which both subcells are based on Cs-based Pb-Sn mixed inorganic absorbers, achieving a total scanned PCE of 20.36%. Self-assembled monolayers can improve perovskite solar cells, but their use in lead and tin devices for tandem cells is limited. Zhang et al. designed a mixed layer that improved interfaces and crystal growth, producing stable cells and a tandem efficiency of 20.36%.

Molecular rectifiers, as prototypical components of molecular electronics, present unique opportunities for pushing device miniaturization to its ultimate limits. Nevertheless, challenges including limited rectification ratios (RR), insufficient robustness, and poor reproducibility impede their practical deployment. To make molecular rectifiers competitive with silicon-based devices, it is important to fully understand the design principles and fabrication methods from both mechanistic and experimental perspectives. By holistically considering the transport mechanisms, modulation strategies, fabrication, characterization techniques, and theoretical simulations, this review provides a comprehensive overview of molecular rectifiers. Representative examples of conceptually significant and high-performance molecular rectifier systems are highlighted to illustrate the relationships between rectification mechanisms, molecular design strategies, and device realization. Building on these discussions, we present an outlook for current bottlenecks and future directions to guide the development of molecular rectifiers. This review aims to serve as both a conceptual framework and a technical reference for researchers working at the intersection of molecular electronics and nanoscale device engineering in the post-CMOS era.

Owing to the high surface tension, gallium-based liquid metals are difficult to stably deposit via direct writing while maintaining high pattern fidelity, posing a challenge for their patterning into high-precision flexible conductive circuits. In this work, a Ga-Al-Mg ternary liquid metal alloy (LMA) was prepared through trace alloying with magnesium and aluminum. With the introduction of 0.6 wt % Al and 0.4 wt % Mg into liquid gallium, the resulting LMA64 achieved a favorable balance among wettability, shear-thinning behavior, low-frequency viscoelasticity, and apparent yield stress, enabling stable direct writing of conductive traces with a minimum line width of approximately 200 μm. Compared with pure gallium, LMA64 reduced the contact angle from 148.5 to 115.5°, while increasing the normalized shear-thinning factor and apparent yield stress to 2.43 and 1.77 times those of pure Ga, respectively. Furthermore, the printed LMA64 circuits exhibited chemical reactivity toward aqueous solutions and, notably, underwent rapid reaction and circuit disconnection in acidic aqueous environments. Leveraging this property, we constructed a wearable patch-type alarm sensor for wound-fluid-triggered monitoring. The integrated sensor produced an alarm response within approximately 2 s upon contact of the circuit with an aqueous solution. In addition, a multilayer moisture-buffering structure helped suppress interference from sweat and ambient humidity during routine wear, rendering the device more suitable for monitoring scenarios involving large-volume body fluid leakage. The wearable patch also features simple fabrication, replaceable sensing components, and recyclability of gallium metal, demonstrating promising potential for postoperative wound monitoring, abnormal exudate warning, and low-cost disposable wearable alarm devices.

Lipid droplets (LDs) are multifunctional organelles essential for lipid storage, metabolic regulation, and cellular homeostasis, and their dysregulation is closely associated with the onset and progression of metabolic dysfunction-associated steatotic liver disease (MASLD). Sensitive and specific fluorescent imaging of LDs dynamics is crucial for elucidating MASLD pathogenesis and accelerating the development of effective therapeutics. Herein, we report near-infrared fluorescent carbon dots (NIR-FCDs) with precise LDs-targeting capability and enabling high-contrast imaging of LDs distribution in AML-12 cells and MASLD mice model, exhibiting high brightness (QY: 8.6%), deep-tissue penetration (75 μm), excellent photostability (>3 h continuous irradiation), and superior signal-to-background (SBR = 26). Leveraging these properties, NIR-FCDs was applied for visualizing pathological lipid accumulation in MASLD mice models and demonstrated their utility in a drug-screening platform successfully. This work developed a robust NIR-FCDs for LDs-specific imaging and highlighted its potential to advance mechanistic studies and therapeutic discovery in metabolic liver diseases.

To develop multi-functional microwave-absorbing materials, the FeCoNi/MoS2@carbon nanotubes (CNTs)/ carbon nanofibers (CNFs) aerogels were synthesized by anchoring FeCoNi and MoS2 onto an aerogel skeleton via directional freeze-drying and catalytic chemical vapor deposition (CCVD). Through CCVD, a diverse array of heterointerfaces was successfully constructed and defect-containing CNTs were introduced, thereby improving the impedance mismatch of carbon-based aerogels while achieving outstanding microwave absorption performance. The composite aerogel results in a minimum reflection loss of -84.18 dB at the thickness of 1.85 mm and an effective absorption bandwidth of 5.40 GHz at the thickness of 1.75 mm with a 13 % filler ratio. The excellent electromagnetic wave absorbing ability is mainly ascribed to the formation of three-dimensional conduction network, abundant heterogeneous interfaces, and the introduction of magnetic loss. Density functional theory calculations further elucidate that the enhanced dielectric properties arise from asymmetric charge distribution at heterogeneous interfaces (FeCoNi-C and MoS2-C), which amplifies interfacial polarization, while the increased density of states optimizes conduction loss. Additionally, the composite aerogels exhibit exceptional thermal insulation and infrared stealth performance. This work pioneers a novel pathway method for multifunctional aerogels using CCVD.

The spreading behavior and crystallographic orientation of Fe-Ni alloy nanodroplets on substrates are critical for applications in flexible electronics, biomedicine, electrochemistry, and coating materials, and have been examined using molecular dynamics simulations. Modifying the interaction energy parameters between the droplet and the substrate affects both droplet spreading and subsequent phase transformations. At low interfacial energy, the droplet exhibits a stepwise phase transition, ultimately forming face-centered cubic (FCC)-twinned nanoparticles with layered hexagonal close-packed (hcp) structures. In contrast, high interaction energy leads to droplet spreading across the graphene substrate and the formation of an amorphous film. Nucleation parameters were assessed by estimating the percentage of TCP atoms, the maximum cluster size, and the number of crystal clusters. The findings demonstrate that a superhydrophobic metallic state can promote nucleation. Additionally, increasing both the amplitude and period of sinusoidal surface features enhances nucleation. These results provide a theoretical basis for understanding heterogeneous nucleation on dual-sinusoidal surfaces.