Industrial ammonia synthesis via the Haber - Bosch process, operated under harsh reaction conditions, offers ample room for improvement through material design. Designing a catalyst with high activity and low cost is considered the key to enabling large-scale operation under mild conditions. The unresolved mechanistic role of electric fields in steering the kinetics of the nitrogen reduction reaction (NRR) on cobalt/carbon-nitrogen (Co/C-N) catalysts limits the effectiveness of dynamic optimization strategies. Through systematic DFT simulations under applied electric fields (0 - 1.0 eV & centerdot;& Aring;(-1)), we demonstrate field-induced restructuring of atomic-scale electronic properties: (i) Non-monotonic bond-length evolution in nitrogen intermediates, with *NNH2 exhibiting > 0.15 & Aring; variation, (ii) Shifts of d-band centers toward E-F and reduced spin-polarization separation (Delta spin-down = 0.86 eV(1.0 eV & centerdot;& Aring;(-1))), (iii) Directional charge transfer-depletion from Co (most pronounced in *NH, Delta q = -0.37 to -0.14) and accumulation on N (*NH2: Delta q = 1.13 to 1.21), (iv) Enhanced electron delocalization in N-N bonds (n(MAX) = 0.40 at 1.0 eV & centerdot;& Aring;(-1)), and (v) Attenuated adsorption energies with stabilized NH2. These descriptor-level changes indicate that external electric fields can modulate the relative stability of NRR-relevant intermediates and promote electronic conditions favorable for N-N activation. It should be noted that the present PBE-D3 calculations were performed using an idealized vacuum-field model; therefore, the results are interpreted as qualitative trends rather than quantitative electrochemical free-energy predictions. Electrochemical performance tests of cobalt(-)loaded nitrogen(-)doped carbon catalysts for cyclic-voltammetry measurements exhibit current peaks at 0.6-0.8 V (vs SCE), qualitatively consistent with the DFT-predicted field-induced activation region; no ammonia quantification was conducted, which is consistent with the DFT-predicted field(-)strength regime and its underlying electronic modulation mechanisms. No direct quantitative correspondence between electrode potential and local electric field is implied. The findings establish electric fields as precision tools for reconfiguring catalytic interfaces via spin, charge, and bond dynamics, advancing field-gated NRR catalysis.

In the realm of large-scale power system energy storage, sodium-based batteries represent a cost-effective post-lithium energy storage technology, making inorganic solid-state sodium batteries (ISSSB) a critical branch of this development. Inorganic solid-state electrolytes (ISSEs) are the core components of sodium batteries; however, they face significant challenges such as insufficient ionic conductivity, interfacial instability, and dendrite growth, all of which severely hinder practical application. This review critically assesses experimental protocols and theoretical frameworks related to mainstream ISSEs and systematizes optimization strategies aimed at overcoming these challenges. Leveraging integrated insights from both experimental and computational studies, the review first categorizes and summarizes the primary types of ISSEs, namely oxide-, sulfide-, and halide-based electrolytes. It then details interfacial optimization strategies focused on addressing three core interfacial issues: ion transport barriers resulting from mechanical incompatibility, side reactions stemming from electrochemical mismatch, and dendrite formation. Finally, the review advocates prioritizing in-depth research that integrates experimental and theoretical approaches to establish a closed-loop methodology encompassing predictive design, multiscale investigation, mechanistic exploration, and high-throughput automated experimentation, with feedback-driven refinement. This work serves as a comprehensive reference and systematic roadmap for future research on solid-state electrolytes (SSEs).

All-solid-state sodium batteries are considered a promising technology for large-scale energy storage owing to their intrinsic safety and the natural abundance of sodium resources. Although high ionic conductivity is exhibited by sulfide-based systems such as Na3SbS4, challenges in achieving a balance between ionic transport and electrochemical stability remain. In this study, a synergistic cation-anion co-doping strategy is proposed to overcome the intrinsic trade-off of single-element doping. By using first-principles density functional theory combined with ab initio molecular dynamics, the structural, ionic, and electronic properties of Na3SbS4 co-doped with M6+ (M = W, Mo) and X- (X = F, Cl, Br, I) are systematically investigated. Based on comprehensive analysis, the WCl and WBr co-doped systems are found to exhibit the most balanced performance among all candidates. In these systems, wide electronic band gaps are maintained, ensuring excellent electronic insulation. Simultaneously, competitive room-temperature ionic conductivities, associated with low activation energies, are also achieved. This optimal balance is attributed to co-doping-induced lattice distortions. Through these distortions Na+ migration pathways are reconstructed into highly connected diffusion networks, while structural integrity and electronic stability are preserved. In addition to bulk transport properties, first-principles interface calculations reveal favorable interfacial compatibility between Na metal and WCl/WBr-co-doped Na3SbS4, characterized by stable interfacial adhesion and localized charge redistribution, highlighting their practical applicability in all-solid-state sodium batteries. In contrast, Mo-based and F/I-containing systems are characterized by either narrower band gaps or excessive migration barriers at the current 6% doping concentration. However, improved performance may be exhibited at lower concentrations, which can be attributed to reduced defect interaction and impurity-derived states overlap. Overall, the intrinsic structure-property relationships among lattice distortion, migration dimensionality, and electronic structure in co-doped Na3SbS4 are elucidated in this work. It is demonstrated that synergistic anion-cation co-doping is an effective strategy to achieve concurrent enhancement of ionic conductivity and electrochemical stability. Through these findings, theoretical guidance is provided for the rational design of next-generation high-performance sulfide solid-state electrolytes.

For the first time, we experimentally demonstrated a highly stackable multibit 3D DRAM with dual-gate IGZO 2T0C. Contrary to typical 3D vertical BL 1T1C, the applicable current sensing for this 2T0C helps to eliminate BL-to-BL coupling issue, thus enable exploitation of vertical WL to reduce fabrication challenge in 3D integration. Moreover, by using RWL as gate instead of S/D control, this dual-gate 2T0C offers more reliable read control and avoid current accumulation in RWL (IR drop issue) as encountered in single-gate 2T0C. The fabricated dual-gate read transistor in all 4-tier cells exhibit high Ion of $12 \mu \mathrm{A} / \mu \mathrm{m} {@} \mathrm{V}_{\text{TH}}+1 \mathrm{V}$ and low SS of $102 \text{mV} / \text{dec}$. Excellent device stability of 80 mV PBTI and −30 mV NBTI are obtained at 85 °C. First multibit 3D DRAM is demonstrated with record 3 bits/cell, as well as long data retention (400s) and high write speed (10 ns). This work paves the forward way toward high-density and low-power 3D DRAM application.

As global pressure to mitigate greenhouse gas emissions continues to mount, the electrochemical carbon dioxide reduction reaction (CO2RR) has attracted extensive attention owing to its capability of converting CO2 into value-added chemicals. Although copper-based catalysts demonstrate outstanding performance toward multicarbon products, non-copper catalysts have emerged as a major research focus due to their higher product selectivity, lower cost, and controllable reaction pathways toward C₁ products.Nevertheless, the rational design of non-copper catalysts faces unique challenges, including ambiguous active-site configurations, intricate structure–performance relationships, and the complicated regulation of intermediate adsorption behaviors. Meanwhile, machine learning (ML) techniques, including high-throughput computation, feature engineering, and active learning, offer powerful solutions to these obstacles. Specifically, ML-driven high-throughput screening and kinetic modeling accelerate the identification of high-performance non-copper catalysts and unravel their intrinsic reaction mechanisms. This review systematically summarizes the recent advances in the design of representative non-copper catalysts for CO2RR and the specific applications of ML techniques in addressing the unique challenges in this field. The challenges and opportunities associated with ML-assisted design of non-copper catalysts are further discussed, aiming to provide a comprehensive reference and conceptual framework for the rational design of non-copper CO2 electroreduction catalysts and ML-driven multiscale investigations.

Defects at the buried interface represent a critical challenge that impedes further improvements in both the performance and scalable manufacturing of perovskite solar cells (PSCs). Defect formation, lattice mismatch, and energy-level misalignment at this interface aggravate nonradiative recombination and accelerate photothermal degradation, thereby limiting both efficiency and operational stability. Here, we employ interface engineering using multifunctional molecules to suppress defect formation. To minimize redundant material screening, we combine theoretical calculations with experimental validation to identify 4-aminobutylphosphonic acid (4-ABPA) for modifying the interface between the perovskite layer and the electrode. Both simulation and experimental results demonstrate 4-ABPA as a multifunctional molecular bridge that simultaneously anchors to the charge transport layer and interacts with the perovskite lattice. And its role in dynamically regulating perovskite crystallization and enhancing interfacial performance is uncovered. The dual-site chemical binding regulates crystallization, alleviates residual stress, suppresses interfacial defects, and optimizes energy-level alignment at the buried interface. As a result, voltage loss is reduced to 31 mV, enabling power conversion efficiencies of 25.56% in n-i-p and 26.45% in p-i-n architectures with negligible hysteresis. The modified devices also exhibit outstanding durability, retaining 83.91% of their initial performance under 1440 h of continuous operation and 91.59% after 2600 h of ambient storage. Our work establishes a systematic and universal buried-interface engineering strategy to further enhance efficiency and stability, thereby advancing the mass production of perovskite devices.

Self-assembled monolayers (SAMs) are critical for high-efficiency inverted perovskite solar cells (PSCs), but their use is limited by incomplete coverage, weak oxide adhesion, solvent desorption, and poor wettability. These issues stem from a structural constraint: conventional SAMs anchor through a single monodentate "hinge," whose rotation hinders dense packing, creates surface-energy heterogeneity, and destabilizes bottom and buried interfaces. Here, we introduce a molecular-interlock strategy by incorporating lactic acid (LA) to pair with Me-4PACz to restrict this rotational freedom. The carboxyl group of LA forms an additional coordination with hydroxylated NiOx and simultaneously interacts with undercoordinated Pb-I species at the buried perovskite interface, creating a dual-anchor configuration that enhances SAM adhesion and structural rigidity. This interlocked SAM improves surface uniformity, increases wettability toward perovskite inks, suppresses PbI2-related defect formation, optimizes energy-level alignment, and releases interfacial residual stress, enabling compact and pinhole-free perovskite films. As a result, PSCs using Me-4PACz (LA) achieve a PCE of 26.87% (certified 26.31%), maintain 98.8% of their initial output after 1000 h MPP tracking, and retain 90% efficiency after 1200 h ambient storage. Large-area (47.84 cm2) modules reach 23.18%, demonstrating the broad applicability of rotationally restricted, molecular-interlocked SAMs for robust and efficient perovskite photovoltaics.

Aqueous zinc-ion batteries (AZIBs) are promising candidates for large-scale energy storage, yet their zinc anodes suffer from hydrogen evolution, dendrite growth, and by-product formation. Modulating the hydrogen-bond (HB) network of...

Reactivating dead alkali metal is an effective strategy for extending the lifespan of alkali metal batteries. Until now, relevant works are mainly concentrated in lithium batteries, however, the reactivation of dead Na remains a mystery. Herein, dead Na reactivation is realized by a reverse-pulse-interspersed charging strategy. Transient large reverse currents are incorporated into the battery charging protocol, during which dead Na can be reactivated by the dielectrophoresis effect. Different from those electrochemical protocols for dead lithium reactivation during discharging or rest, this strategy for reactivating dead Na in charging shows practicality. Moreover, this strategy homogenizes Na deposition by mitigating ion concentration polarization, thus further suppressing dead Na accumulation. As a proof of concept, durable and high-rate anode-free sodium batteries are realized by this strategy. Specifically, the Al | |Na4Fe3(PO4)2(P2O7) anode-free coin cell using this strategy achieves a doubled cycle life at 1 C. Meanwhile, an Ah-level Al | |Na4Fe3(PO4)2(P2O7) anode-free pouch battery exhibits high capacity retentions of 80.0% over 830 cycles and 74.6% over 1000 cycles at 2 C. Furthermore, a 180 Wh/kg Al | |Na4Fe3(PO4)2(P2O7) pouch battery delivers a long lifespan at 1 C, demonstrating application potential. This reverse-pulse-interspersed charging strategy paves a practical avenue for high-performance alkali metal batteries.

In this work, we propose a novel molybdenum-titanium (MoTi) gate metal technique as a hydrogen scavenger to enhance the bias temperature instability (BTI) stability of ultra-scaled IGZO thin-film transistors (TFTs). By performing temperature- and electrical-field-dependent measurements, the hydrogen (H) migration mechanisms under elevated-temperature BTI stress are identified for the first time: only H diffusion dominates in NBTI while both diffusion and drift contribute in PBTI. Based on this observation, the MoTi gate metal is introduced to function as an effective H scavenger, mitigating H diffusion toward the IGZO channel. By this design, the fabricated 100 nm IGZO TFTs with MoTi gates achieve record-low threshold voltage shift (Delta V-TH ) per oxide electric field ( E-OX ) of 20 mV center dot cm/MV and 7.2 mV center dot cm/MV under 125 C PBTI and NBTI stress, respectively, among all the reported sub-100nm oxide TFTs so far.

Amorphous oxide thin-film transistors (TFTs) are pivotal for modern displays and emerging electronics. While their cryogenic application is widely recognized, a comprehensive understanding of low-temperature charge transport remains lacking. Here, we demonstrate that the fluctuation-induced tunneling (FIT) model universally describes conductivity across a wide temperature window. This framework conceptualizes conduction as tunneling between metallic islands separated by barriers arising from conduction-band energy fluctuations. The extracted parameters T1 and T0, representing barrier height and width respectively, yield a ratio T1/T0 that serves as a robust mobility indicator validated across diverse material systems.

An architecture for three-dimensional integration of dynamic random-access memory that enables higher memory density is presented as a new solution to the bottleneck currently faced in artificial intelligence deployment. The basis of this architecture is a vertical dual-gate two-transistors-zero-capacitor memory cell which yields a small feature size and reliable read operation, and naturally scalable to large-scale arrays. However, three-dimensional integration of the dynamic random-access memory faces highly-limiting challenges related to lateral misalignment and thermal cycling as a result of separate stacking processes. To solve the issues of cell misalignment and thermal cycling, a single step process is used to stack the dual-gate In-Ga-Zn-O transistors simultaneously. By optimizing the contact metallization and its interface through an in-situ ozone oxidation method, the vertical dual-gate transistor exhibits a high on-state current and small subthreshold slope as well as high thermal stability and device variation. Furthermore, a four-bit multi-bit operation is demonstrated with an ultra-scaled 4F2 two-transistors-zero-capacitor dynamic random-access memory to further increase the storage density. The approach presented here provides a promising alternative to high-density three-dimensional dynamic random-access memory integration as a means for more efficient near memory computing for artificial intelligence systems.

Metal halide perovskites exhibit great promise for applications in solid-state lighting and flat-panel display technologies. Despite significant progress, the current strategies for achieving high-performance perovskite light-emitting diodes (PeLEDs) are largely confined to additive engineering and upper interface modifications, with little attention paid to the buried interface, which plays a crucial role in perovskite crystal growth and charge transport. Here, we demonstrate a novel buried interface modification strategy by substituting polyethylenimine ethoxylated (PEIE) with phosphorylethanolamine (PEA). PEA functions as a bridging molecule between ZnO and perovskite, with its phosphate group anchoring on ZnO and its amino group serving as the nucleation site for perovskite as well as passivating perovskite defects. Furthermore, PEA also passivates the surface defects of ZnO and modulates its energy levels, thereby enhancing electron injection. The resultant PeLEDs exhibit a peak EQE of up to 22.3% with reduced efficiency roll-off and prolonged half-lifetime, which is superior to that of conventional PeLEDs at a peak wavelength of 798 nm.

Cationic vacancy engineering boosts electrode kinetics and ion transport by fine-tuning active sites and charge conduction routes. This provides a new way to balance the contradiction between the high specific capacity and the power/energy density of asymmetric supercapacitors (ASCs). The study presents a cross-scale structural modulation strategy for ZnMn2Se4 with zinc cation vacancies (Zn(v)Mn2Se4) through synergistic calcination and two-step etching methodologies. The innovative approach enables precise conversion of unique 1D-ZIF templates into metal selenides with tailorable vacancy configurations, achieved through the synergistic combination of macroscopic morphological engineering and atomic-level defect manipulation. Moreover, the MXene/Zn(v)Mn2Se4 composite demonstrates exceptional specific capacitance (2093.4 F g-1 at 1 A g-1) through synergistic coupling of cationic vacancy engineering and conductive MXene integration, where the engineered metal vacancies enhance electroactive sites density while the MXene-induced heterointerface optimizes electrolyte infiltration kinetics. Furthermore, the self-made biomass carbon-based asymmetric supercapacitor biomass charcoal (BC)//MXene/Zn(v)Mn2Se4 delivers 744.97 W kg-1 power density and 112.39 Wh kg-1 energy density. By harmonizing high energy-power density with long-term charge stability in low-mass electrodes, this work unveils an environmentally benign approach that bridges the gap between laboratory innovation and market-ready ASC technologies.

Challenges remain in enhancing the catalytic activity and durability of CeTi based catalysts for the lowtemperature elimination of chlorinated volatile organic compounds (CVOCs). This study developed a series of amorphous CeTiCr catalysts that exhibit high efficiency and stability in the oxidation of chlorobenzene. Among them, (CeTi)2Cr1 catalyst stands out with a T90 of 220 degrees C and maintains superior stability at 255 degrees C for over 40 h. Structure-activity relationship reveals that the amorphous structure induces synergistic enhancement of both oxygen vacancies and surface hydroxyl groups, with this effect being further amplified by Cr doping. The increased oxygen vacancies by modification of Cr facilitated the breaking of C=C bonds in the aromatic ring, which promotes the mineralization of intermediates, blocking the chlorination reaction chain and preventing the formation of polychlorinated byproducts. Moreover, the enhanced acidity induced by this strategy facilitates Cl dissociation, leading to improved Cl resistance. The (CeTi)2Cr1 catalyst also exhibits broad applicability for the catalytic destruction of various CVOCs and excellent water resistance, making it a promising candidate for industrial applications in CVOCs elimination.

Stretchable ionic conductors (SICs) have gained widespread applications in energy storage devices, soft robotics, and ionic skins due to their exceptional stretchability, ionic conductivity, and transparency. Among these, ionogels have attracted significant attention due to the thermal stability, nonvolatility, and electrochemical stability of ionic liquids. Ionic liquids impart ionic conductivity to the ionogels. However, their presence may influence the mechanical properties of the polymer through plasticizing effects or noncovalent interactions. Consequently, optimizing the mechanical properties of ionogels to maintain the ionic conductivity while ensuring adequate mechanical strength is a significant concern among researchers. In this study, a poly(urethane-urea) material (APU x ) containing amide and quaternary ammonium salt groups was designed and synthesized. The amide groups within APU x , serving as hydrogen bonding cross-linking points, confer excellent mechanical properties on the material by strengthening its internal network structure. In addition, the APU x elastomer possesses self-healing ability and recyclability due to the dynamic function of hydrogen bonding as well as antibacterial function of the quaternary ammonium salt group. On the other hand, the ionic liquid [EMIM][HSO4] was introduced to enhance the ionic conductivity. The [EMIM][HSO4] interacts with the polymer through hydrogen bonding and electrostatic interactions, giving rise to an ionogel material (APU3.5/30) that features favorable ionic conductivity (2.21 mS m-1), excellent elongation at break (2358.5%), high strength (11 MPa) and toughness (78.6 MJ m-3), thus holding promising application prospects in high-performance flexible wearable electronic devices.

Mechanistic studies with characterizing crucial intermediates are indispensable in elucidating the promotive effects of ligand modifications, which thereby serve as useful orientations for rational optimization of molecular catalysts for CO2 reduction. Herein we investigate the catalytic mechanism of a CoII catalyst bearing a tetra-dentate macrocyclic ligand by electrochemical and spectroelectrochemical techniques, where its unstable Co0 active species under catalytic conditions accounts for its lower catalytic performance compared to that of another CoII catalyst featuring a similar penta-dentate macrocyclic ligand.