SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-026-4349-9
Sodium metal batteries are promising for large-scale energy storage due to sodium's abundance and low cost, but their commercialization is hindered by dendrite growth and low utilization of sodium metal anodes. Here, we report a yolk-shell structure with gold nanoparticles (Au NPs) confined in hollow carbon nanospheres (Au@HCN) as a robust seeding/hosting interphase. The encapsulation isolates Au NPs from direct electrolyte contact, mitigating parasitic reactions, while the void space accommodates volume changes during alloying. Notably, electrochemical testing reveals that Au NPs undergo alloying-induced amorphization upon sodiation, forming a Na-Au amorphous alloy that enhances sodiophilicity and ensures uniform Na nucleation. This amorphous phase, confirmed by ex situ X-ray absorption spectroscopy and transmission electron microscopy, reduces nucleation overpotential and promotes dendrite-free deposition. The Au@HCN electrode achieves a high Coulombic efficiency of 99.8% over 500 cycles at 1 mA cm−2 and a long cycle life of over 2000 hours at 0.5 mA cm−2 in symmetric cells. Full cells paired with Na3V2(PO4)3 cathodes deliver a specific capacity of 105 mAh g−1 with 92% retention after 500 cycles. This work provides a rational design for stable sodium metal anodes through encapsulation and alloying-induced amorphization, offering a pathway for practical sodium metal batteries.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-026-4385-1
Self-assembled monolayers (SAMs) are effective hole-selective contacts for inverted perovskite solar cells, but scalable deposition on rough substrates is hindered by molecular aggregation, disordered packing, and incomplete adsorption. We propose a hybrid strategy incorporating 4-(Piperidin-4-yl)butanoic acid hydrochloride (PBACl) into the 4PABCz solution during dip-coating. PBACl suppresses aggregation via hydrogen bonding and ionic interactions, yielding homogeneous coverage and improved wettability. The piperidine and carboxyl groups passivate buried interfacial defects through hydrogen bonding and coordination with perovskites. Small-area cells achieve a champion power conversion efficiency (PCE) of 26.09%, while a 5 cm × 5 cm mini-module (aperture area 14.4 cm²) delivers 23.29% PCE. Encapsulated devices retain 80% of initial PCE after 1350 h maximum power point tracking under continuous illumination. This ion modulation strategy bridges molecular-level interface control with scalable processing, offering a pathway to industrially relevant perovskite photovoltaics.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3598-1
Embedding a dielectric layer between as-synthesized graphene nanoribbons (GNRs) and metal surfaces represents a powerful strategy to achieve electronic decoupling, thereby enabling the extraction of these ribbons' intrinsic electrical properties. Although several reports have documented dielectric intercalation between GNRs and metal substrates, studies on Ag(111) substrates are limited. Here, we demonstrate a semiconducting AgTe monolayer intercalation method to achieve electronic decoupling between as-synthesized GNRs and an Ag(111) substrate. Using low-temperature scanning tunneling microscopy, we directly observed the AgTe intercalation process at the GNR/Ag(111) interface. By combining scanning tunneling spectroscopy and density functional theory calculations, we elucidate the critical role of AgTe monolayer intercalation in reducing the interaction between as-synthesized GNRs and the Ag(111) substrate and observe the near-intrinsic electrical properties of the GNRs. Our findings offer a practical and effective strategy for intercalating AgTe monolayers between carbon-based nanomaterials and Ag(111) substrates, facilitating the unambiguous characterization of the near-intrinsic electronic properties of these materials.
New Carbon Materials•2026•DOI: 10.1016/S1872-5805(26)61068-2
The poor interface contact between bismuth (Bi) nanoparticles and reduced graphene oxide (rGO) impedes ion/electron transfer in lithium-ion battery anodes. We report an innovative fabrication of ultrafine Bi nanocrystals chemically bonded to rGO (Bi-rGO) via liquid-phase pulsed laser irradiation followed by solvothermal reaction with graphene oxide. Metastable Bi nanocrystals synthesized by laser (5.5 nm) undergo lattice restructuring and shrink to a record-small size of 2 nm during solvothermal combination, the smallest reported for Bi/C composites. The Bi nanocrystals are uniformly anchored onto rGO nanosheets via strong Bi–O–C bonds, which suppress particle aggregation, establish efficient ion/electron transport channels, and alleviate volume expansion during lithiation. The Bi-rGO-2 anode, comprising 2 nm Bi nanocrystals, delivers an exceptional reversible capacity of 586.7 mAh g−1 over 500 cycles at 100 mA g−1, nearly doubling that of a Bulk Bi/rGO composite anode (318 mAh g−1). Theoretical calculations confirm higher binding energy between Bi and rGO at smaller particle sizes, while kinetic analysis reveals accelerated Li+ diffusion. This work provides a scalable route to high-performance alloy anodes through metastable nanocrystal engineering and covalent interface coupling.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3485-0
Aqueous Zn-ion batteries (AZIBs) are promising for next-generation energy storage due to high safety and low cost, but their practical use is limited by Zn dendrite growth and side reactions. An ideal anode/electrolyte interphase should block water contact while enabling fast Zn2+ transport, yet conventional thick interphases increase ionic resistance and polarization. Here, we report a hydrophobic yet ultrathin (~5 nm) polydimethylsiloxane (PDMS) artificial interphase fabricated via conformal coating. The oxygen-rich PDMS layer selectively coordinates Zn2+ while its superhydrophobicity excludes water, and the ultrathin nature enables rapid Zn2+ conduction, enhancing the Zn2+ transference number by 2.28-fold. This synergistic design suppresses dendrites and mitigates hydrogen evolution. The PDMS-modified anode achieves 99.9% Coulombic efficiency over 3500 cycles, 880-hour symmetrical cell operation at 60% depth of discharge, and 2500-cycle full-cell endurance under lean Zn conditions (N/P ratio 5.7). Proof-of-concept pouch cells sustain 1400 cycles with a 0.01% decay rate. This molecular-scale interphase strategy provides a feasible pathway toward practical AZIB implementation.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3856-0
Replacing the kinetically sluggish oxygen evolution reaction (OER) with biomass oxidation at photoanodes offers a cost-effective and energy-efficient route for simultaneous hydrogen production and value-added chemical synthesis in a photoelectrochemical (PEC) cell. Here, titanium-doped hematite nanorods (Hem) decorated with CoNi bimetallic zeolitic imidazolate frameworks (ZIF) were prepared via room-temperature deposition and employed as photoanodes for 5-hydroxymethylfurfural (HMF) oxidation. Using 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) as a redox mediator in alkaline electrolyte, the CoNi-ZIF/Hem photoanode achieved a photocurrent density of 1.09 mA cm−2 at a low bias of 1.1 V vs. reversible hydrogen electrode (RHE). Experimental results and theoretical calculations reveal that CoNi-ZIF accelerates charge transfer and separation, and enhances TEMPO adsorption on the surface, benefiting PEC TEMPO-mediated HMF oxidation to 2,5-furandicarboxylic acid (FDCA). In a flow-cell reactor under 1 sun illumination, the photoanode achieved ~99% HMF conversion and ~98% FDCA yield within 2 hours. The photoanode also exhibited excellent performance for TEMPO-mediated oxidation of various aldehyde-containing biomass-derived compounds. This work demonstrates a rational design of hematite-based photoanodes for efficient biomass valorization coupled with hydrogen production.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-4057-4
The escalating use of ionizing radiation in medical and industrial applications necessitates lead-free, flexible, and sustainable shielding materials. Current development relies on empirical trial-and-error, which is inefficient. This study introduces a machine learning-assisted Monte Carlo simulation strategy for rapid optimization of metal filler compositions for X-ray attenuation across 40–120 kV. Guided by this AI-driven approach, polyvinyl alcohol (PVA)-based gels containing uniformly dispersed Bi/W/Gd2O3 nanoparticles were developed, forming within 1 minute at -20°C using a PVA-DMSO/H2O co-solvent system. The optimized gel with 50 wt% metal loading exhibits exceptional mechanical properties: tensile strength of 1.76 MPa, toughness of 6.3 MJ m−3, and elongation of 600%. It achieves >98% X-ray shielding efficiency at 5 mm thickness, outperforming lead composites at 120 kV. The physically cross-linked network provides recyclability and anti-freezing capability, retaining flexibility at -50°C. This work establishes a data-driven paradigm for designing high-performance radiation-shielding materials, demonstrating AI's potential to accelerate materials discovery and enable scalable fabrication of eco-friendly protective systems.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-4074-6
Achieving carbon neutralization relies heavily on green hydrogen and electrochemical carbon-nitrogen cycles. However, the complexity of these systems and the cost of traditional Edisonian trial-and-error methods hinder rapid progress. Artificial intelligence (AI) has emerged as a transformative tool, enabling high-throughput data processing and dynamic adaptation. This review surveys the landscape of AI-driven electrochemistry, bridging the gap from atomic-scale design to industrial-scale implementation. Specifically, we focus on three areas: atomic structure-function decoding, fully automated “self-driving” laboratories, and macro-scale simulations for device durability. Furthermore, we elucidate the critical challenges in integrating AI with materials science. By mapping current trends and future directions, this work aims to unlock the full transformative potential of AI in next-generation energy storage and conversion.