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ZY
Verified CAS / Academic Author13 Decoded Studies

Prof. ZHANG Yuanyuan

Beihang University

Co-Affiliations:Xi'an Jiaotong UniversityTsinghua Shenzhen International Graduate School, Shenzhen, ChinaShenzhen UniversitySchool of Life and Environmental Sciences, Guilin University of Electronic Technology, Guilin 541004, ChinaBeijing University of Chemical TechnologySchool of Chemical and Blasting Engineering, Anhui University of Science and Technology, Huainan 232001, ChinaNorth China Electric Power University

Research Publications & English Decoded Briefs

Showing 13 publications
SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4480-1

Side-Chain-Engineered Guest Acceptor Synchronously Optimizes Vertical Phase Separation and Non-radiative Loss in Organic Solar Cells

Ternary organic solar cells (OSCs) incorporating a structurally compatible guest acceptor (C7-Cl) into the PM6:BTP-eC9 host system are demonstrated. The low Flory-Huggins interaction parameter between host and guest acceptors facilitates intimate mixing, optimizing molecular packing and energy-level alignment. High-sensitivity sEQE and EQEEL analyses reveal a reduced non-radiative energy loss (KE3) of 0.216 eV in the ternary device. Consequently, the optimized ternary OSC achieves a champion power conversion efficiency (PCE) of 20.02% and an improved T80 operational lifetime of 1065 h. This work establishes a feasible strategy via structurally compatible guest doping to simultaneously optimize vertical phase separation and suppress non-radiative loss, providing a facile and effective route toward high-performance and stable OSCs.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4273-3

Emergent Strain Engineering of Freestanding Oxide Membranes

Freestanding membranes have driven a profound evolution of strain engineering by fundamentally overcoming the substrate clamping effect. This structural degree of freedom enables the introduction of spatially complex, reversible, and giant strain fields into the membranes via mechanical manipulations such as stretching, bending, and interfacial twisting, ultimately facilitating the modulation of diverse physical properties. This review systematically discusses recent experimental and theoretical advances in the field, highlighting the modulation of physical properties via uniaxial/biaxial strain, strain gradients, and oxide twist. These mechanical strain strategies substantially broaden the range of achievable material properties, furthermore provide fundamentally new pathways for realizing unconventional mechanical behaviors, inducing emergent polar topological structures, and exploring correlated electronic states. Finally, this review summarizes current methodologies for implementing emergent strain engineering of oxide membranes, delves into the profound impacts of spatially complex strain on the fundamental physical properties of freestanding oxides, and offers a forward-looking perspective on the tremendous opportunities and challenges in this rapidly evolving field.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4240-7

Electrocatalytic Ammonia Oxidation Reaction: From Active Site Regulation to Industrial Device Systems

The electrocatalytic ammonia oxidation reaction (AOR) is pivotal for sustainable energy conversion and storage, enabling direct ammonia fuel cells (DAFCs), ammonia electrolysis, and solid oxide fuel cells. This review critically examines recent advances in AOR catalysis, emphasizing active-site regulation, interfacial engineering, and device-oriented catalyst development. For noble-metal catalysts, optimizing adsorption and dehydrogenation of NHx intermediates while mitigating poisoning is essential for sustained activity. Non-noble-metal systems, particularly Ni-based catalysts, require precise control of reconstructed working-state phases such as NiOOH-like species to balance activity and selectivity. Interfacial engineering, including heterointerfaces, defect structures, and doped coordination environments, strongly influences the competition between AOR and oxygen evolution reaction (OER), as well as product branching toward N2 or oxygenated nitrogen species. The review underscores that catalyst optimization now extends beyond bulk composition to the precise regulation of the interfacial reaction microenvironment. Furthermore, practical device operation is governed by membrane/electrolyte compatibility, mass transport, ammonia crossover, thermal management, and long-term durability. Bridging fundamental catalyst studies with deployable ammonia energy technologies requires coordinated optimization from active materials to electrode architectures and full-device systems. This review provides a comprehensive framework for designing next-generation AOR catalysts and accelerating their integration into industrial energy systems.

New Carbon Materials2026DOI: 10.1016/S1872-5805(25)61036-5

Low-cost synthesis of large graphene oxide flakes by the total oxidation of large natural graphite flakes

Large graphene oxide (LGO) sheets offer significant advantages over smaller ones in various applications, yet their production via Hummers-type oxidation of large natural graphite flakes remains challenging due to difficulties in achieving full oxidation and avoiding fragmentation. This study provides the first direct evidence that large graphite flakes (up to 1 mm) can be completely oxidized without fragmentation under static conditions, as revealed by in-situ monitoring. The oxidation process is governed by diffusion of the oxidizer between layers, described by Fick's law, where a high oxidizer concentration gradient increases the diffusion rate. By minimizing the amount of concentrated H2SO4 solvent, we achieved a semi-solid state that elevates oxidizer concentration, facilitating Mn(VII) diffusion and enabling complete oxidation of gram-scale large flakes with significantly reduced reagent consumption. Reaction temperature was optimized to balance graphite oxidation and Mn(VII) self-decomposition. Using this approach, 200-, 100-, and 50-mesh natural graphite were fully oxidized with reduced H2SO4 and KMnO4 usage. After exfoliation, LGO with average lateral sizes of 27.3, 58.7, and 116.2 μm were obtained, respectively, with 100% conversion and yield over 165%. This work not only provides a scalable, cost-effective strategy for LGO production but also advances the fundamental understanding of Hummers-type oxidation.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3697-8

Oxophilic Sites Activate Asymmetric IrNi Atomic Dimers and Clusters for Efficient Hydrogen Oxidation and CO Tolerance

Multi-site coupling is a promising strategy for developing highly efficient and CO-resistant hydrogen oxidation reaction (HOR) catalysts for proton exchange membrane fuel cells (PEMFCs). However, designing multifunctional synergistic schemes for single-atom sites remains a significant challenge. Herein, we propose a dual-template-confined oxophilic engineering strategy to construct well-dispersed iridium-nickel (IrNi) atomic dimers adjacent to IrNi nanoclusters on porous nitrogen-doped carbon (IrNi Dimer/NC1.8-PNC). The paired IrNi dimer features an asymmetric Ir-N3 configuration coordinated with heteroatomic Ni-N3O via an N-bridge. Remarkably, IrNi Dimer/NC1.8-PNC exhibits a ~23-fold enhancement in mass activity (4.36 A mg−1 Ir at 20 mV) and 5-fold longer stability compared to benchmarking Pt/C toward HOR, while achieving a high rated power density of 1.18 W cm−2 in PEMFC anode applications. Furthermore, IrNi Dimer/NC1.8-PNC demonstrates superior CO tolerance over monometallic Ir and Pt/C in both half-cell and full-cell devices. Combined experimental and density functional theory studies reveal that oxophilic Ni modulates the electronic environment of Ir through alloying and dimer interactions, thereby enhancing HOR activity. Importantly, the asymmetric IrNi dimer enables efficient CO* and OH* co-adsorption while facilitating CO2* desorption, synergistically mitigating CO poisoning and improving atom utilization efficiency. This work provides a design strategy and fundamental insights for multi-site synergistic catalysts in PEMFC anodes.

Chinese Journal of Environmental Engineering2026DOI: 10.12030/j.cjee.202506064

Electrocatalytic Oxidation Performance and Mechanism of Porous Active Metal Oxide Coated Anode for Congo Red Degradation

To address the challenges of high salinity, recalcitrance, limited mass transfer, and coating detachment in traditional anodes for textile wastewater treatment, a porous RuO2@r-TiO2 nanotube array (NTA) anode was fabricated via anodic oxidation, electrochemical reduction, and thermal decomposition. A flow-through electrochemical oxidation system was constructed using this anode and a graphite felt cathode. The material's morphology and physicochemical properties were characterized by SEM, XRD, and XPS. Congo red (CR) was used as a model pollutant to evaluate degradation performance under various conditions. Optimal conditions were identified as current density 5 mA·cm−2, permeate flux 480 L·(m2·h)−1, initial CR concentration 0.15 mmol·L−1, and NaCl concentration 75 mmol·L−1. Under these conditions, the system achieved 91% decolorization within 20 min and 82% mineralization within 60 min. Mass transfer tests showed a rate constant of 2.23×10−4 m·s−1 in flow-through mode, three times higher than conventional mode, with active chlorine and H2O2 production increased by 32.8% and 66.7%, respectively. Radical quenching experiments indicated that singlet oxygen (1O2) was the primary reactive species. The degradation mechanism was proposed based on quenching and UV spectral analysis. The system achieved >90% decolorization for five typical dye pollutants with an energy consumption of only 0.16 kWh·m−3. Cyclic voltammetry confirmed long-term stability. These findings provide theoretical support for applying electrochemical advanced oxidation to high-salinity textile wastewater.

Chinese Journal of Environmental Engineering2026DOI: 10.12030/j.cjee.202509053

Comparative Carbon Emission Assessment of Waste Plastic Valorization Pathways

The escalating global generation of waste plastics necessitates robust recycling strategies to mitigate environmental impact and advance low-carbon development. This study employs life cycle assessment (LCA) and emission factor methodologies to quantify the carbon footprints of six distinct waste plastic valorization pathways: mechanical recycling, pyrolysis, alcoholysis, co-coking, solid fuel production, and direct incineration. The functional unit is one tonne of waste plastic, with system boundaries encompassing transportation, pretreatment, and resource utilization. The model accounts for indirect emissions from energy consumption, direct emissions from plastic decomposition, and carbon offsets from material or energy recovery. Results indicate that pyrolysis yields the highest carbon offset of approximately -3,024 kgCO2e per tonne, while mechanical recycling achieves an 88% material recovery rate and a net carbon offset of -991.4 kgCO2e. Net carbon emissions per tonne of waste plastic rank as follows: direct incineration (1,104 kgCO2e) > co-coking (185.8 kgCO2e) > solid fuel (115.4 kgCO2e) > alcoholysis (-259.5 kgCO2e) > mechanical recycling (-991.4 kgCO2e) > pyrolysis (-2,592 kgCO2e). These findings demonstrate that pyrolysis offers superior carbon reduction benefits compared to incineration, exhibiting a net-negative carbon footprint across its life cycle. The study provides a scientific basis for selecting low-carbon waste plastic valorization routes and informs carbon trading and emission reduction strategies in the solid waste sector.

Journal of Fuel Chemistry and Technology2026DOI: 10.1016/S1872-5813(26)60659-7

Synthesis of ZSM-5 Molecular Sieve from Coal Gasification Fine Slag and Its Adsorption Mechanisms for Pb2+ in Aqueous Solution

Coal gasification fine slag (CGFS), a solid waste from entrained-flow coal gasification, is characterized by fine particles and high silicon and aluminum content. This study proposes a simple and economical hydrothermal synthesis of ZSM-5 molecular sieve using CGFS as raw material. Impurities were removed by acid washing, followed by alkaline extraction of silicon and aluminum species. The extracted Si-Al precursors were crystallized hydrothermally at 170 °C for 48 h, yielding ZSM-5 with a high specific surface area of 358 m2/g. Adsorption experiments showed that the synthesized ZSM-5 exhibited excellent Pb2+ removal performance: at 25 °C, the removal efficiency for a 50 mg/L Pb2+ solution reached 83.7%, with an adsorption capacity of 104.625 mg/g under optimized conditions. The adsorption process is mainly governed by chemisorption mechanisms, including surface complexation, precipitation, and ion exchange. Thermodynamic analyses indicated that Pb2+ adsorption is spontaneous and endothermic, consistent with multilayer chemisorption. The synthesized ZSM-5 shows promising potential for application in the treatment of lead-containing wastewater, offering a high-value utilization route for coal-based solid waste.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3916-3

Circularly Polarized Light Detection in Achiral Organic Semiconductors via Chiral Plasmonic Resonance

Circularly polarized light (CPL) detection is critical to emerging technologies in optical communication, chiral sensing, and bio-inspired imaging. However, current devices rely on intrinsically chiral semiconductors that are synthetically complex and costly to scale. Here, we demonstrate robust CPL detection in achiral organic semiconductors by exploiting chiral plasmonic resonance (CPR). A self-assembled monolayer of L-phenylalanine–modified gold nanoparticles imparts optical chirality to adjacent semiconductors while enhancing photocurrent through plasmon-induced hot-carrier processes. The resulting hybrid devices exhibit nearly tenfold responsivity enhancement and a high dissymmetry factor of 0.35 at 515 nm. Mechanistic analysis reveals a field-driven, hot-carrier-assisted route to helicity sensitivity. This solution-processable approach merges plasmonic chirality with organic semiconductor versatility, providing a scalable platform for next-generation on-chip chiroptoelectronic and polarization-imaging technologies.

Journal of Fuel Chemistry and Technology2026DOI: 10.1016/S1872-5813(26)60655-X

Machine Learning-Assisted Discovery of Lewis Base Additives for Defect Passivation in Perovskite Solar Cells

Defect-induced nonradiative recombination critically restricts the power conversion efficiency (PCE) and stability of perovskite solar cells (PSCs). Lewis base additives show great promise in defect passivation, but current screening methods rely heavily on empirical trial and error and lack clear design principles, making it difficult to efficiently discover high-performance candidate materials. Here, we present a machine learning (ML) framework to intelligently screen Lewis base molecules for defect passivation. We trained six ensemble models on a dataset of 146 experimental data points, with Light Gradient Boosting Machine (LightGBM) yielding the best classification performance (87% accuracy). Shapley Additive Explanations (SHAP) interpretability analysis subsequently identifies the highest occupied molecular orbital (HOMO) energy (−7.5 to −6.3 eV), additive concentration (2.5 to 6.5 mg/mL), and simplified molecular backbones (O atom ≤ 2, C atom < 5) as critical design criteria. The ML prediction was experimentally validated: (S)-pyrrolidine-3-carboxylic acid ((S)-PCA) and 2-methyl-1,3-cyclopentanedione (MCPD) (Class Ⅱ) improved PCE by 2.22% and 2.01%, respectively, while 3-hydroxymethyl-3-methylbutanenitrile (3-HMBN) (Class Ⅰ) showed minimal gain. Density functional theory (DFT) calculations further confirmed the stronger binding affinities and elevated defect formation energies of Class Ⅱ additives. Notably, the champion (S)-PCA device achieved a PCE of 24.05%. This work established an ML-accelerated paradigm for the rational design of defect passivators, bridging data science and photovoltaics.

Journal of Fuel Chemistry and Technology2026DOI: 10.1016/S1872-5813(26)60690-1

Reaction mechanisms and cracking performance of CH4 provoked by non-equilibrium plasma

Methane cracking driven by electric power holds significant promise in the context of the rapid development of renewable energy. The effects of carrier gas ratio, input power, and inlet gas flow rate on CH4 cracking performance were systematically investigated in a dielectric barrier discharge (DBD) reactor. The variation of temperature distribution and reaction energy intensity were also examined. The experimental results indicate that CH4 conversion and gaseous product formation are promoted by increasing the DBD input power or decreasing the inlet gas flow rate. At an input power of 90 W and an inlet gas flow rate of 200 mL/min, the single-pass CH4 conversion reaches 46.6%, with an H2 yield of 23.3%, demonstrating that CH4 cracking is governed by electron induced reactions. While the Joule heating from the inner and outer electrodes is relatively limited. The reaction energy intensity increases as the CH4 conversion decreases. When the inlet gas flow rate increases from 200 to 800 mL/min, the energy intensity rises by approximately 2.8 times, indicating that higher inlet gas flow rates enhance the convective heat transfer and shorten the gas residence time, thereby suppressing deep CH4 cracking. Moreover, BOLSIG+ calculations further reveal that CH4 activation is dominated by electron induced vibrational excitation, in which stepwise energy accumulation drives C–H bond dissociation. The energy transfer and species transformation pathways of overall CH4 cracking process, which comprises electron energy injection, vibrational excitation, stepwise dissociation, radical chain extension, and final product formation, can be summarized into three stages, i.e. methane activation, radical evolution, and product formation.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-4016-3

Electromagnetic Wave Absorbing Materials Derived from Rare Earth Ions Enriched via Host-Guest Interactions in Anion Metal-Organic Frameworks

Rare earth-based electromagnetic wave (EMW) absorbing materials are promising due to their strong dielectric and magnetic loss capabilities, yet effective enrichment and utilization of rare earth ions remain challenging. Here, an anionic imidazolium-based metal-organic framework (MOF), MOZ-200, is employed to enrich multiple rare earth ions (La3+, Ce3+, Pr3+, Nd3+, Y3+) via host-guest interactions. The anionic framework uniformly confines these ions, which are converted in situ into highly dispersed high-entropy rare earth alloy nanoparticles during carbonization. The resulting HE@C composites feature a conductive, graphitized carbon matrix with abundant multi-scale polarization centers and heterogeneous interfaces, enhancing dipole polarization, interface polarization, and conductive loss. Consequently, the material achieves excellent EMW absorption in the Ku band, with a minimum reflection loss of -79.20 dB and a maximum effective absorption bandwidth of 5.23 GHz. Integrated into a polyurethane matrix, a multifunctional flexible device is realized, offering EMW absorption, photothermal heating, microwave de-icing, and hydrophobicity. This work provides a feasible strategy for rare earth ion utilization and advances the design of flexible multifunctional EMW absorbing materials.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4208-8

Boosting the cycling stability of P2-type layered oxide cathodes via a synergistic high sodium and Li/Mg co-doping strategy

Sodium-ion batteries (SIBs) are emerging as a cost-effective alternative to lithium-ion batteries due to the abundance of sodium resources. Among cathode materials, P2-type layered oxides (Na_xTMO_2) offer high ionic conductivity and rate capability but suffer from low initial sodium content and Na+/vacancy ordering, leading to structural degradation and capacity fading. This study proposes a synergistic strategy combining high sodium content with Li/Mg co-doping to enhance the cycling stability of P2-type cathodes. The high sodium content increases the sodium reservoir, reducing the depth of desodiation for a given capacity, while Li/Mg co-doping mitigates Na+/vacancy ordering and stabilizes the crystal structure. The optimized cathode exhibits significantly improved cycling performance, retaining 82.3% of its initial capacity after 500 cycles at 1C, compared to 65.4% for the undoped counterpart. Furthermore, the co-doped material demonstrates enhanced rate capability, delivering 112 mAh/g at 5C, and suppressed phase transitions, as evidenced by in-situ X-ray diffraction. This work provides a rational design pathway for high-performance P2-type cathodes, addressing key bottlenecks in SIB commercialization.