Xu Zhang

Layered double hydroxides (LDHs), featuring tunable compositions and unique layered structures, have been widely investigated as electrode materials for supercapacitors. However, their electrochemical performance is often limited by intrinsically low electrical conductivity and insufficient exposure of electrochemically active sites. Herein, Co-carbonate hydroxide (Co-CH) nanowire-threaded NiZn layered double hydroxide (NiZn-LDH) nanocage heterostructures are rationally constructed, in which one-dimensional Co-CH nanowires physically pass through and interconnect multiple hollow NiZn-LDH nanocages. The Co-CH nanowires form a one-dimensional backbone favorable for electron transport, while the electronically coupled Co-CH/NiZn-LDH interfaces promote interfacial charge redistribution and electronic-structure modulation, with complementary analyses supporting their p–n heterojunction characteristics. The hollow nanocages provide internal voids and porous channels that facilitate electrolyte penetration and ion accessibility. As a supercapacitor electrode, Co-CH@NiZn-LDH delivers a specific capacitance of 1805 F g–1 at 1 A g–1, approximately 78% higher than that of pristine NiZn-LDH (1015 F g–1), and exhibits a capacitance retention of 76% at 30 A g–1, compared with 34% for NiZn-LDH. Furthermore, the assembled Co-CH@NiZn-LDH//AC asymmetric supercapacitor achieves an energy density of 68 Wh kg–1 at a power density of 800 W kg–1. This work provides a nanowire-threaded nanocage heterostructure design strategy that integrates one-dimensional backbones, ion-accessible hollow LDH nanocages, and electronically coupled heterointerfaces for high-performance supercapacitor electrodes.

Lithium‐sulfur (Li‐S) batteries have attracted significant attention as next‐generation energy storage systems owing to their ultrahigh theoretical energy density and low cost. However, their practical deployment is hindered by sluggish redox kinetics, severe volume variation, and the shuttle effect of soluble LiPSs. To overcome these limitations, polar catalytic materials capable of regulating sulfur electrochemistry have been widely investigated. Among them, molybdenum‐based sulfides, particularly molybdenum disulfide (MoS ₂ ), have emerged as promising candidates due to their tunable electronic structures, abundant catalytic active sites, and strong chemical affinity toward polysulfides, enabling simultaneous polysulfide confinement and catalytic conversion. This review systematically summarizes recent advances in molybdenum‐based sulfides for Li‐S batteries, focusing on the design principles and catalytic mechanisms of MoS ₂ ‐based materials. Special attention is given to seven representative modulation strategies, including structural, support, defect, phase, doping, expansion, and heterostructure engineering. In addition, other molybdenum‐based sulfides, such as amorphous MoS _x and Chevrel‐phase Mo ₆ S ₈ , are discussed. Finally, current challenges and future research directions are outlined.

A synergistic strategy involving NaOH and H ₂ O ₂ is employed to successfully prepare N,O co-doped activated carbon, which exhibits excellent electrochemical performance in both supercapacitors and zinc-ion hybrid capacitors.

In recent years, inspired by the substantial reductions in non‐radiative losses and improvements in efficiency and stability achieved through surface modification of 3D systems, research into the surface engineering of 2D and quasi‐2D systems has progressed rapidly. This study systematically explores the integration of small‐molecule surface engineering within the 2D perovskite framework and employs data‐driven methodologies to expedite the screening process. We have constructed a library of small molecules composed solely of carbon, hydrogen, oxygen, and nitrogen elements and have utilized first‐principles calculations to determine the interface adsorption energy (E _ads ) and charge transfer (Δq) following adsorption on the 2D perovskite surface. Furthermore, we have deployed an interpretable machine learning model to identify critical descriptors of these small molecules. The findings indicate that molecular polarity and hydrophobicity collaboratively influence E _ads and Δq, which in turn impact device performance. We selected three small molecules, urea, 5‐amino‐1‐pentanol hydroiodide, and tris(hydroxymethyl)aminomethane (Tris), for device‐level experimental validation. The devices doped with these small molecules exhibited markedly enhanced photodetector performance compared to their undoped counterparts. These outcomes underscore the practical significance of rapid screening methodologies for the development of high‐performance photodetectors, perovskite light‐emitting diodes, and solar cells.

Taking advantage of the variable valence states of molybdenum, this work develops a MoO ₂ /Mo ₄ O ₁₁ @Mo heterostructure as a highly efficient cathode, aiming to boost the electrochemical performance of aqueous zinc‐ion batteries (AZIBs). It is noteworthy that during the initial charge–discharge cycle, in situ electrochemical conversion occurs between Mo ₄ O ₁₁ and Mo, resulting in the formation of a stable MoO ₂ @Mo interfacial structure that significantly enhances the electrode's electrochemical kinetics. Furthermore, combined with multiple ex situ characterizations, the reversible Zn ²⁺ insertion/extraction dynamic mechanism within the MoO ₂ lattice is elucidated. Benefiting from progressive in situ phase transformation and structural reconstruction, the electrode exhibits a high specific capacity and robust cycling stability (291 mAh g ⁻¹ at 0.5 A g ⁻¹ with 60% capacity retention after 200 cycles), as well as excellent rate capability (148 mAh g ⁻¹ at 3 A g ⁻¹ with 77% capacity retention after 1500 cycles). Capacity evolution analysis reveals that the activation process under high‐rate conditions is delayed yet sustained, mitigating the rapid initial capacity decay commonly observed in conventional materials and improving cycling durability. This work validates the efficacy of heterostructure design combined with in situ conversion strategies in optimizing Zn ²⁺ storage kinetics and provides crucial insights into the development of advanced molybdenum‐based cathodes for aqueous zinc‐ion batteries.

In recent years, there has been a growing interest in the field of adaptive aromaticity, which refers to compounds that demonstrate aromaticity in both lowest singlet and triplet states. Our previous investigation revealed the σ aromaticity of metallacycles within spiro bi(metallacycloprop‐1‐ene) units at its lowest singlet state. This ongoing interest has prompted us to delve deeper into the aromaticity of a varied assortment of bi(metallacycloprop‐1‐ene) compounds, characterized by distinct metal centers and ligands. In pursuit of this, DFT calculations have been conducted. Computational analyses show that the metallocyclic propene units in the bi(metallacycloprop‐1‐ene) M.X (M=Re²⁻, Os⁻, Ir / X=F, Cl, Br) are σ adaptive aromatic, except for Ir.X, which is aromatic only in the lowest singlet state.