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Verified CAS / Academic Author11 Decoded Studies

Prof. XIE Li

National Center for Nanoscience and Technology, Chinese Academy of Sciences

Co-Affiliations:Nanjing University of Posts and TelecommunicationsSchool of Environmental Science and Engineering, Sun Yat-sen UniversityShanxi Key Laboratory of Carbon Materials, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan 030001, ChinaCollege of Environmental Science and Engineering, Tongji University, Shanghai 200092, China

Research Publications & English Decoded Briefs

Showing 11 publications
SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4499-9

Ferroelectric two-dimensional In-Se materials: a review on the structure, property and application

Two-dimensional (2D) ferroelectric materials have emerged as promising candidates for next-generation non-volatile memory and neuromorphic computing, yet their integration into commercial devices faces substantial hurdles. This review critically examines the structure, properties, and applications of ferroelectric 2D In-Se materials, with a focus on their potential to overcome the scaling and retention limitations of conventional ferroelectrics such as Hf0.5Zr0.5O2 (HZO). The manuscript synthesizes recent advances in In-Se ferroelectricity, including the mechanisms of polarization switching, modulation strategies, and device demonstrations. Key experimental benchmarks from the literature are analyzed, such as the high data retention and read endurance of 5-nm HZO ferroelectric FETs (IEEE Electron Device Lett, 2019, 40(3): 399-402) and the giant barrier height modulation in ferroelectric van der Waals heterojunctions (Nat Electron, 2020, 3: 466-472). The review also highlights the performance of sliding ferroelectric memories based on rhombohedral-stacked bilayer MoS2, which achieved non-volatile storage with low power consumption (Nat Commun, 2024, 15: 10796). Despite these advances, critical challenges remain: the scalability of In-Se synthesis, the control of domain dynamics at the nanoscale, and the cost parity with silicon-based technologies. By consolidating empirical data and identifying unresolved bottlenecks, this review provides a roadmap for researchers and engineers aiming to translate 2D ferroelectric In-Se from laboratory curiosities to manufacturable devices. The analysis underscores the need for standardized metrology and accelerated lifetime testing to validate industrial viability.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4473-9

Selective Ion Separation in Nanoporous Materials: Confinement Sieving, Chemical Recognition, and Dynamic Gating

Selective ion separation is critical for resource recovery, water treatment, lithium extraction from salt lakes, and nuclear waste management, yet the differences in size, solvation structure, and coordination behavior among ions are often minimal, and separation is further complicated by valence, interfacial charge, and competing ions. Nanoporous materials with tunable sub-nanometer channels and chemically active interfaces can regulate ion entry, solvation reorganization, interfacial partitioning, intrapore migration, and release. This review examines three mechanistic categories—size and solvation sieving, chemical recognition, and dynamic gating—from the perspective of confined transport and ion–pore interactions, and compares their roles and coupling in systems of monovalent–monovalent, divalent–divalent, heterovalent, and chemically similar multivalent ions. We further distinguish selective adsorption, membrane enrichment, and transmembrane transport, and discuss how selectivity definitions, ion flux, feed composition, driving force, and operating time affect performance evaluation. Current research faces three major challenges: lack of comparability of performance data across different test conditions, insufficient direct evidence of ion solvation, site occupancy, and migration under operating conditions, and the complexity of feed streams. By adopting a sequential ion transport process as a unified conceptual framework, this review systematically compares separation mechanisms across diverse nanoporous materials, including MOFs, COFs, zeolites, 2D materials, microporous polymer membranes, ion-exchange membranes, biomimetic nanochannels, organic–inorganic composites, functionalized porous carbons, and biochars. This transport-process-oriented framework provides a general and mechanistic perspective for understanding and comparing selective ion separation across diverse nanoporous platforms.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4153-2

Cl−-Driven Pathway Switching Enables Efficient Industrial-Current Seawater Oxidation on Dual-Atom Catalysts

Direct seawater electrolysis offers a promising route to green hydrogen production, circumventing freshwater scarcity. However, the presence of chloride ions (Cl−) poses severe challenges, including competing chlorine evolution reaction (CER) and corrosion of anode catalysts. Here, we report a dual-atom catalyst design, RuCr-Ni3P, where Ru atoms with strong chloride affinity and Cr atoms as Lewis acid centers are co-doped into a nickel phosphide matrix. This catalyst exhibits outstanding oxygen evolution reaction (OER) activity and selectivity in alkaline seawater, achieving stable operation for over 4000 hours at industrially relevant current densities. Mechanistic studies reveal that Cl− ions are selectively captured by Ru sites, forming a dynamic Ru–Cl coordination motif that electronically modulates adjacent Ni centers, promoting the formation of high-valent Ni>3+ species. This switches the OER pathway from the lattice oxygen mechanism (LOM) to the more efficient adsorbate evolution mechanism (AEM). Concurrently, Cr sites facilitate the formation of Cr–OH species, creating a localized alkaline microenvironment that further enhances OER kinetics. This dual-site synergistic mechanism transforms Cl− from a detrimental impurity into a beneficial chemical switch, concurrently enhancing both activity and stability. Our findings provide a paradigm shift in seawater electrolysis catalyst design, turning a longstanding challenge into an opportunity for efficient and durable hydrogen production.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3803-8

Modulating Donor-Acceptor Interactions in Polymeric Carbon Nitride for Efficient Hydrogen Peroxide Photosynthesis and Emerging Contaminants Removal

The molecular copolymerization of donor-acceptor (D-A) interactions has been effectively utilized to modulate the charge transfer dynamics in polymeric carbon nitride (PCN) photocatalysts. Herein, a D-A configured photocatalyst (TPCN) was constructed by copolymerizing 4,4’,4’’-(1,3,5-triazine-2,4,6-triyl) trianiline (TAPT) as the electron donor with triazine units (electron acceptor). The unique propeller structure of TAPT, combined with the triazine framework, expanded the π-conjugated system and induced a strong built-in electric field (BIEF) across the D-A configuration. Theoretical calculations and transient absorption spectroscopy revealed that this synergistic effect facilitated intramolecular charge separation and widened the range of light absorption, indicating accelerated charge transfer and suppressed recombination in TPCN. The optimized TPCN3 sample exhibited dramatically enhanced photocatalytic H2O2 production (1.74 mmol g−1 h−1), representing a 13.4-fold increase over pristine PCN. Additionally, the TPCN3 sample also exhibited significantly faster degradation kinetics than PCN counterpart toward various emerging contaminants. This work demonstrates a promising strategy for designing efficient metal-free photocatalysts for sustainable H2O2 production and environmental remediation.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3605-0

Enhancing NiOx Hole Transport Properties through Planarity Modulation of Organic Small Molecules for Inverted Perovskite Solar Cells

Nickel oxide (NiOx) is widely used as a hole transport material in inverted perovskite solar cells (PSCs). However, its practical application is limited by low intrinsic conductivity and insufficient hole extraction ability, leading to significant interfacial defects that reduce device efficiency and stability. To overcome these issues, two isomeric small organic molecules, 2,6-NOT and 1,5-NOT, were developed and introduced to modify NiOx. These isomers share the same structure but differ in the substitution positions of functional groups, resulting in distinct molecular planarity. Experimental results demonstrate that 1,5-NOT, featuring extended conjugation and enhanced planarity, more effectively enhances the hole extraction/transport capabilities and conductivity of NiOx compared to 2,6-NOT. The NiOx/1,5-NOT-based device achieves a remarkable power conversion efficiency (PCE) of 24.20%, along with excellent long-term stability, surpassing the NiOx control device (18.12%) and the 2,6-NOT-based device (21.87%). These findings indicate that modifying NiOx with small organic molecules significantly improves charge transport performance, and increasing molecular planarity is particularly beneficial for enhancing hole transport and reducing defect density, thereby increasing both efficiency and stability. This work provides a new strategy for NiOx modification via small organic molecules, offering a promising route to high-performance inverted PSCs.

New Carbon Materials2026DOI: 10.1016/S1872-5805(26)61102-X

Improving the porous carbon matrix to suppress the formation of surface silicon for improved cycling stability

Silicon-carbon composites prepared by chemical vapor deposition (CVD) are promising anode materials for high-energy-density lithium-ion batteries. However, the influence of the pore structure of the porous carbon (PC) carrier on silicon deposition behavior, and the impact of surface silicon on cycling stability, remain unclear. This study systematically investigates these effects using nitrogen adsorption-desorption analysis, X-ray photoelectron spectroscopy, and thermogravimetric analysis. Porous carbons with varying pore architectures were synthesized by adjusting KOH activator ratios. Results show that increased micropore volume facilitates higher silicon mass loading, but also elevates the content of surface floating silicon due to greater silane exposure. Moderately increasing mesopores in high-microporosity carbon promotes deeper silicon deposition, reducing surface floating silicon. Excessive surface floating silicon hinders lithium-ion diffusion kinetics, leading to accumulation of active lithium, accelerated SEI growth, and electrode degradation. Electrochemical testing reveals that the optimized silicon-carbon composite maintains a high specific capacity of 693.1 mAh/g after 150 cycles at 0.5 C (900 mA/g). This work provides new insights into the development and failure mechanisms of CVD-derived silicon-carbon composite anodes, emphasizing the critical role of pore structure in mitigating surface silicon and enhancing cycling stability.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3792-6

Multifunctional Permeable Electrodes for Synchronous Temperature-Electrophysiological Signals Monitoring and Intelligent Arrhythmia Diagnosis

The rapid expansion of home-based digital health monitoring necessitates electrodes capable of simultaneous, accurate acquisition of electrophysiological signals and body temperature. Conventional single-function electrodes, including metal block, gel, and Ag/AgCl types, suffer from limitations such as restricted movement, skin irritation, signal degradation over time, and poor permeability for prolonged use. To overcome these challenges, we developed a low-cost, multifunctional flexible electrode enabling concurrent body temperature and electrophysiological signal monitoring without cross-interference. Body temperature is assessed via visual colorimetric evaluation and precisely measured using a custom smartphone application. The electrode features high air permeability, ultra-thin architecture, superior flexibility, antibacterial properties, and strong skin adhesion, while maintaining low interfacial impedance for stable, long-term acquisition of high-fidelity signals such as electrocardiography (ECG) and surface electromyography (sEMG). Integrated with a Raspberry Pi platform and a hybrid convolutional neural network-long short-term memory (CNN-LSTM) algorithm, the system achieves intelligent arrhythmia detection with 99.30% accuracy. This novel electrode provides a powerful tool for multifunctional sensing of temperature and physiological electrical signals, with significant potential for wearable physiological tracking applications.

Environmental Chemistry2026DOI: 10.7524/j.issn.0254-6108.2025042502

Comparative Effectiveness and Mechanism of Antibiotic Degradation by B/N-Doped Biochar-Supported Fe3S4 Activating Peroxydisulfate

Rice husk biochar (BC) was modified with boron (B) and nitrogen (N) doping and loaded with Fe3S4 to fabricate B-BC@Fe3S4 and N-BC@Fe3S4 catalysts for peroxydisulfate (PDS) activation and enrofloxacin (ENR) degradation. Characterization via SEM, BET, XRD, Raman, and XPS confirmed successful heteroatom incorporation and uniform Fe3S4 dispersion, enhancing specific surface area and defect sites. Degradation experiments showed that B-BC@Fe3S4 and N-BC@Fe3S4 achieved ENR removal efficiencies of 90.72% and 91.89%, respectively, significantly outperforming unmodified BC@Fe3S4 (82.21%). Mechanistic studies revealed that PDS activation proceeded via Fe3S4-mediated electron transfer generating radical species (SO4•−, •OH, O2•−) and via B/N functional groups promoting non-radical singlet oxygen (1O2) formation. Notably, N-BC@Fe3S4 exhibited superior resistance to Fe3+ leaching and greater environmental adaptability under varying pH, anion, and humic acid conditions. These findings demonstrate that B/N-doped biochar-supported Fe3S4 are effective catalysts for PDS activation, offering promising potential for antibiotic removal from real wastewater matrices.

Journal of Environmental Engineering Technology2026DOI: 10.13205/j.hjgc.202608027

Source-Sink Spatial Mismatch Characteristics and Health Risks of Soil BTEX in a Decommissioned Industrial Site on a Coastal Plain

The relocation of numerous industrial enterprises in China has left behind soil contamination, particularly by volatile organic compounds such as BTEX, whose migration and health risks are of great concern. Coastal plains, characterized by high groundwater tables and interbedded sedimentary strata, exhibit contaminant distribution and migration patterns distinct from inland regions. This study investigated a decommissioned resin plant site in the Yangtze River Delta coastal plain, systematically analyzing the spatial distribution, migration, and health risks of soil BTEX. Seven BTEX compounds were detected with detection rates ranging from 24.3% to 47.1%. Maximum concentrations of benzene, ethylbenzene, and m/p-xylene exceeded China's Class I construction land screening values. The contaminant plume was predominantly located in the southern product warehouse area, while the potential source was traced to the upstream wastewater treatment unit, indicating a 'source-sink' spatial mismatch. Vertically, contaminants exhibited a 'shallow-layer volatilization, middle-layer enrichment, and deep-layer retardation' pattern, with significant enrichment in silty clay at 3–6 m depth and sharp concentration declines in mucky clay. Membrane Interface Probe (MIP) multi-parameter detection revealed that benzene and toluene migrated as a whole, whereas chlorobenzene lagged due to strong adsorption. Benzene posed the most significant health risk, with carcinogenic risk up to 7.42×10⁻⁴ and non-carcinogenic hazard quotient up to 38.24, both exceeding acceptable levels. Inhalation of indoor air contaminated by vapor intrusion from underlying soil contributed over 87% of benzene's total risk, dominating the exposure pathway. This study elucidates the unique migration and risk formation mechanisms under high water table and interbedded strata, providing a scientific basis for precise investigation, risk assessment, and remediation of similar contaminated sites.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-4034-3

Active Site Concentration Steers the Reaction Pathway of CO2 Electroreduction

The local concentration and configuration of active sites critically influence the selectivity of CO2 electroreduction, yet constructing well-defined structures to probe this relationship remains challenging. Here, we report a molten salt-assisted strategy to synthesize Ce-Ov-Cu cascade catalysts with tunable configurations and relative concentrations of Cu and Ce-Ov sites. Two distinct geometries were engineered: one with dense Cu sites surrounding Ce-Ov (Cu10CeOx) and another with isolated Cu centers encapsulated by Ce-Ov (CuCe10Ox). These configurations direct key intermediates (*CHO or *COH) toward either C-C coupling or deep hydrogenation, thereby switching product selectivity. CuCe10Ox achieves a CH4 Faradaic efficiency (FE) of 61.7% at -1.6 V vs. RHE, whereas Cu10CeOx favors C2 production with a maximum FE of 61.5% at -1.4 V vs. RHE. Mechanistic studies reveal that locally concentrated Cu sites exhibit strong *CO2 binding affinity, enhancing *CO surface coverage and facilitating *CO-*COH coupling. In contrast, Ce-Ov-rich regions with isolated copper centers supply abundant *H, promoting deep protonation of *CHO toward CH4. This work provides insights into catalyst design, demonstrating that manipulating structural chemistry can guide CO2RR toward targeted products.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-4145-0

A Knittable, Muscle-Fiber-Inspired Fiber with Ultra-Stretchability, Waterproof Property and High Conductivity for Wireless Power and Wide-Range Sensing

Conductive fibers face a fundamental trade-off between high electrical conductivity and substantial mechanical stretchability, which critically undermines their reliability under extreme or dynamic mechanical conditions. To overcome this challenge, we report a bio-inspired, hierarchically structured conductive fiber engineered by mimicking the parallel-fibril architecture and integrated matrix of skeletal muscle. This fiber is constructed from multiple parallel spandex yarns as the elastic core, a continuous liquid metal (LM) layer as the conductive pathway, and a composite waterborne polyurethane (WPU)/fluoropolymer (FP) sheath as the protective matrix. This unique architecture concurrently delivers exceptional stretchability (>3500%), high electrical conductivity (3.76 × 10^5 S m−1), and outstanding stability against water and mechanical abrasion. Leveraging its excellent conductivity and mechanical compliance, the fiber can be woven into textiles and function as a receiving coil for efficient wireless power transfer. Additionally, a twisted-pair capacitive strain sensor fabricated from this fiber demonstrates a broad, linear response up to 1000% strain. When integrated into garments, the sensor effectively monitors a wide range of physiological activities, from gross joint movements to subtle biological signals, including wrist pulse, vocal vibration, ballistocardiogram, and respiration. This work presents a conductive fiber that integrates high conductivity, ultra-stretchability, waterproofness, and long-term durability, offering a robust material platform and a scalable fabrication strategy for advancing all-weather health-monitoring systems, smart textiles, and next-generation wearable electronics.