SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-026-4467-x
Conventional eye-movement interaction systems depend on video capture, infrared tracking, and image recognition, which impose inherent constraints on accuracy, response latency, and stability. This study introduces an eyelash-guided signal interaction system based on a triboelectric nanogenerator (PF-TENG) using PDMS-FDTS thin films. The system employs eyelash movements as interactive inputs, eliminating the need for complex optical acquisition devices. A CNN-LSTM hybrid neural network classifies distinct eyelash movement patterns with a classification accuracy exceeding 98.5%. The PF-TENG device exhibits ultra-flexibility and transparency, enabling seamless integration onto eyeglasses without obstructing the user's field of view. Experimental validation demonstrates real-time monitoring of ocular states for driving fatigue detection, accurately identifying fatigue signs and enhancing application potential in intelligent driving. The system offers a natural, comfortable input modality and significant advantages for human-machine interaction, with broad prospects in eye-movement control and intelligent transportation.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-026-4468-6
The proliferation of multispectral detection platforms demands materials that simultaneously satisfy electromagnetic interference (EMI) shielding and infrared (IR) camouflage without compromising radio-frequency (RF) transmission. Conventional MXene films exhibit exceptional EMI shielding (>40 dB) but suffer from high IR emissivity and severe RF reflection, precluding integration with wave-transmitting arrays. This work introduces liquid metal (LM)-modified MXene composite films engineered via structural patterning to decouple optical, IR, and RF responses. The LM phase, dispersed within the MXene interlayer galleries, reduces free-electron density and tailors the dielectric loss, while a periodic array architecture creates impedance-matched windows for RF transmission. The resulting films achieve an EMI shielding effectiveness of 36 dB at 510 µm thickness, with a low IR emissivity of 0.36 and an RF transmittance exceeding 80% in the X-band. The patterning strategy suppresses surface current continuity, mitigating the trade-off between shielding and transmission. These metrics represent a 20% improvement in IR camouflage and a 15% enhancement in RF transparency relative to pristine MXene films. The composite films also demonstrate mechanical flexibility, retaining 95% of initial conductivity after 1,000 bending cycles. This work establishes a scalable route for multispectral-compatible materials critical for next-generation stealth and communication systems.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-026-4284-5
This highlight summarizes a recent breakthrough in integrated visual sensing and computing using symmetry-reconfigurable photodiodes (SRPDs). The device architecture comprises a metal-semiconductor-metal configuration with AgBiS2 as the active layer, enabling dynamic symmetry breaking through voltage-controlled silver filament formation. The SRPD exhibits broadband photosensitivity from 360 nm to 1,550 nm at an illumination intensity of 115 mW cm-2, as demonstrated by multiwavelength time-resolved photocurrent responses. The device can be programmed into fifteen distinct photoresponsivity states, facilitating analog memory and neuromorphic computing. In imaging experiments, an SRPD-based sensory chip successfully captured images through visibly non-transparent inked glass at 808 nm, highlighting its capability for information-lossless acquisition in scattering media. Furthermore, the device achieved high-accuracy pattern recognition with nearly zero false neuron outputs when projecting specific patterns (├, ┬, ┤), each correlating to a unique current output. As a proof of concept, real-time eye-tracking control of an unmanned aerial vehicle (UAV) was demonstrated, enabling the UAV to follow and monitor a moving cyberdog. These results underscore the potential of SRPDs for processing-in-sensor applications, neuromorphic vision, and human-machine interfacing, offering a compact solution that merges sensing and computing functionalities.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-026-4344-5
Germanium-based materials (Ge-based) have been explored as anodes for potassium-ion batteries (PIBs) due to their high theoretical capacity (369 mAh g-1) and moderate potassium insertion potentials. However, their application is hindered by volume expansion and unstable solid electrolyte interphase films. This review systematically synthesizes recent advances in Ge-based materials (encompassing metallic Ge, oxides, chalcogenides, and alloys), with an emphasis on structure-performance relationships to elaborate synergistic optimization strategies. Key optimization strategies such as nanostructuring, composite design with conductive supports, interfacial engineering, doping, and electrolyte modification are elaborated. The potassium storage mechanisms of different materials are compared, and the effectiveness of various modification strategies is evaluated under different operating conditions. High-throughput computations are integrated with experimental validation to guide material and electrolyte design. A life cycle assessment perspective is also introduced to evaluate the sustainability and practical viability of Ge-based materials. Given the high cost and low abundance of Ge, these materials are more suitable for niche applications where high energy density is critical, rather than large-scale grid storage. The review underscores the necessity of balancing electrochemical performance with economic and environmental considerations, proposing a roadmap for future research that prioritizes cost-effective synthesis and scalable manufacturing.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3539-5
MXene-based layered films are promising for electromagnetic interference (EMI) shielding, yet achieving highly ordered structures in scalable production remains challenging. Here, we report a facile centrifugal casting method for fabricating MXene/polyvinyl alcohol (MXene/PVA) films with highly oriented and compact layered structures. During centrifugal casting, the viscous fluid experiences strong shear and centrifugal forces along tangential and normal directions, respectively, inducing compact and oriented arrangement of MXene nanosheets. Consequently, the Herman's orientation factor increases from 0.681 to 0.794 as rotation rate rises from 0 to 4000 r/min. Accordingly, tensile strength and toughness improve from 55.2 to 191.1 MPa and from ~0.8 to 2.5 MJ/m³, respectively. The highly oriented and compact layered structure with ultrathin thickness (~8 μm) enables a high absolute electromagnetic shielding effectiveness (SSE/t) of 21029 dB cm²/g. Moreover, increased orientation reduces infrared emissivity to 0.248, endowing the film with excellent thermal camouflage capability. This work presents an effective strategy for constructing high-performance MXene-based layered films.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3733-2
Irreversible sodium loss, primarily caused by solid electrolyte interphase (SEI) formation during initial cycling, significantly degrades the capacity of sodium-ion batteries by depleting active sodium. While pre-sodiation mitigates initial sodium loss, it fails to address continuous loss throughout the battery lifecycle. To overcome this limitation, we propose a sustained sodium compensation strategy utilizing activation-releasing systems. Key to this approach are high-capacity sodium compensators, Na2C2O4 and Na2C4O4, supported on a B and N co-doped Mo2C-W2C (MoW-C) heterostructure catalyst. This configuration enables efficient sodium release at charging voltages of 3.53 and 3.78 V, respectively. By integrating the sodium supplement agent onto the separator, and precisely controlling voltage and charge, multiple sodium replenishment is achieved over the entire battery lifecycle. This strategy reduces initial active sodium loss by 36.53%. Furthermore, a single activation during subsequent usage provides an additional 0.115 mAh cm−2 of active sodium. As a result, the cell exhibits exceptional cycling stability, with a capacity loss of only 0.059% per cycle over 350 cycles at 0.5 C.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3652-2
Existing robotic end-effector gripping technologies often encounter challenges such as poor adaptability to environmental changes, incomplete deformation sensing, and insufficient adhesion stability, which can compromise operational safety and reliability. Here, we present the bio-inspired self-sensing suction cup, in which the core self-sensing capability is achieved by combining high-performance, laser-induced graphene/Ag NWs flexible sensors with a Wheatstone bridge design. The flexible sensors provide high sensitivity, while the Wheatstone bridge circuit enables accurate and stable detection of deformation during the gripping process. Integrated into the octopus-inspired suction cup, this system allows for real-time monitoring of deformation and adsorption stability. The self-sensing suction cup demonstrates good performance across a 0–25 kPa negative pressure range, with outstanding linearity (R2 = 0.993) and high sensitivity (GF = 10.436 kPa−1). Experimental results confirm that the suction cup can achieve stable adsorption under varying loads and enable real-time monitoring of the suction cup status during the gripping process. This design provides a promising solution for intelligent gripping systems, logistics, and object recognition in challenging environments.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3912-0
This erratum corrects an error in the Chinese name of co-first author Tianxiao Xiao (肖天孝) as originally published in the article 'A multi-modal smart chest patch for real-time cardiopulmonary monitoring and anomaly detection' (Sci China Mater, 2025, 68(12): 4413–4422). The corrected Chinese name is 肖天笑. The correction applies solely to the author's name and does not affect the scientific content, experimental data, or conclusions of the original paper. The authors and publisher apologize for any inconvenience caused.
Chinese Journal of Environmental Engineering•2026•DOI: 10.12030/j.cjee.202506041
Urban and rural multi-source organic waste faces bottlenecks including high compositional heterogeneity, single resource recovery pathways, and uneven product quality. In the Taihu Lake region, active tourism and catering, high greening, and dense water networks generate large volumes of diverse waste with high moisture content, exacerbating these issues. This study evaluated a coupled bio-drying and aerobic composting process at a demonstration center in Linhu Town, Suzhou, Jiangsu Province, employing a three-stage control strategy: gradient dewatering, high-temperature stabilization, and maturation enhancement. Continuous operation showed that kitchen waste moisture content decreased from 77.70% to 58.69% after 1 day of bio-drying, to 23.22% after 7 days of silo reactor composting, and to 17.70% after at least 20 days of maturation. The aerobic composting phase maintained temperatures above 55°C for over 5 days, reaching a maximum of 68.1°C, meeting the harmless treatment requirements of CJJ 52—2014. After 20 days of maturation, the organic fertilizer product had an electrical conductivity below 4.00 mS·cm−1, organic matter content of 51.22%, total nutrient content of 5.61%, and heavy metal concentrations below the limits of NY/T 525—2021. The results provide technical support for efficient treatment and resource utilization of urban and rural organic waste.
Environmental Chemistry•2026•DOI: 10.7524/j.issn.0254-6108.2024112102
Based on the 2022 activity data of non-road mobile sources in Hebei Province, this study employed the emission factor method recommended by the Guidelines to estimate emissions of CO, HC, NOx, PM2.5, PM10, and SO2. A comprehensive emission inventory was established, followed by spatial and uncertainty analyses. Scenario analysis, aligned with the 14th Five-Year Plan policies, was used to project emissions for 2030. The results indicate that non-road mobile sources in Hebei emitted 76.1×10^3 t of CO, 20.6×10^3 t of HC, 164.0×10^3 t of NOx, 8.5×10^3 t of PM2.5, 9.0×10^3 t of PM10, and 2.4×10^3 t of SO2. Agricultural machinery was the dominant contributor to CO, HC, PM2.5, and PM10, accounting for over 60.0% of CO emissions. Railway locomotives were the primary source of NOx, contributing 50.9%. For SO2, agricultural machinery and railway locomotives contributed 39.0% and 44.4%, respectively. The highest emitting cities were Tangshan (21.3%), Shijiazhuang (15.7%), Cangzhou (11.6%), and Handan (11.6%). Ship emissions were concentrated in Tangshan Port; civil aviation emissions were mainly in Shijiazhuang, Tangshan, Qinhuangdao, and Handan; railway emissions were distributed in Shijiazhuang, Baoding, and Handan. Under the updated emission standard scenario, NOx and PM10 emissions in 2030 could be reduced by approximately 35.0%. The phase-out of old machinery yielded the largest reduction in CO (36.0%), while both electrification and phase-out scenarios significantly impacted HC emissions.
Journal of Environmental Engineering Technology•2026•DOI: 10.13205/j.hjgc.202604009
Biological nitrogen removal in wastewater treatment plants (WWTPs) is often limited by insufficient influent carbon sources, necessitating external carbon addition to enhance denitrification. Conventional single carbon sources, such as sodium acetate, frequently fail to meet the metabolic demands of complex microbial communities, compromising nitrogen removal efficiency and stability. Composite carbon sources, by providing multiple electron donors, can improve metabolic cooperation among microorganisms, yet their underlying microbial mechanisms remain insufficiently understood. In this study, activated sludge from a municipal WWTP was used to investigate the microbial mechanisms of composite carbon sources during denitrification. Batch denitrification experiments were conducted in combination with metagenomic and metatranscriptomic analyses to systematically characterize microbial community structure and functional gene expression under different carbon source conditions. Results showed that, compared with sodium acetate as the single carbon source, the composite carbon source system (sodium acetate: sodium succinate: ethanol = 2:1:3) increased the denitrification rate from (6.822 ± 0.141) mg/(L·h) to (8.370 ± 0.186) mg/(L·h), representing a 22.7% improvement, while reducing N2O accumulation by approximately 55%. Metagenomic analysis revealed that Ottowia, Rubrivivax, Thauera, and Zoogloea were the dominant denitrifying genera. Metatranscriptomic results further demonstrated that the composite carbon sources significantly upregulated the transcription of key denitrification genes, with nirS, norB, and nosZ increasing by 37.8%, 27.4%, and 48.6%, respectively. In addition, the composite carbon sources promoted complementary carbon metabolic strategies among different microbial communities, enhancing electron donor supply and improving denitrification efficiency. These findings indicate that composite carbon sources synergistically enhance denitrification performance through regulation of functional gene transcription in complex microbial communities, providing a theoretical basis for carbon source optimization in WWTPs.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3935-1
Silk fibroin (SF)-based hydrogels are promising for biological interfaces, yet achieving multifunctionality—mechanical robustness, adhesion, conductivity, and stability—often requires chemical modification that compromises biocompatibility. Here, we report a protonation-mediated SF/polyvinyl alcohol (PVA) hydrogel adhesive that retains natural silk properties while gaining tailored functionalities. The physically crosslinked network is formed solely via molecular interactions, with phosphoric acid (H3PO4) as a protonation agent to modulate hydrogen bonding, enabling precise control over adhesion, mechanical strength, and electronic conductivity. Glycerol (Gly) is incorporated as a moisturizing agent to enhance long-term stability for skin applications. The resulting hydrogel exhibits excellent performance in monitoring electrophysiological signals, including electrocardiogram (ECG), electromyogram (EMG), and electroencephalogram (EEG), demonstrating its potential as a platform for advanced biological interfaces. This work addresses the critical challenge of developing SF-based hydrogels that combine natural advantages with multifunctionality, offering a promising route for wearable health monitors and human-machine interfaces.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3407-0
Grain boundary (GB) engineering has emerged as a promising strategy to enhance the near-room-temperature performance of Mg3(Sb,Bi)2-based thermoelectric materials, yet effective control of Mg distribution at GBs remains a significant challenge. Here, we report a novel approach to achieve targeted Mg segregation at GBs through strategic Ag incorporation in Mg3.3Sb0.5Bi1.497Te0.003. Through comprehensive microstructural characterization and first-principles calculations, we demonstrate that Ag preferentially segregates at GBs, forming Mg-rich MgAg alloy phases while maintaining limited solid solubility within the matrix. This unique GB architecture simultaneously optimizes multiple thermoelectric parameters: the Mg-rich GB regions significantly provide efficient carrier transport channels and enhance carrier mobility, while the MgAg phases and lattice disorders effectively scatter phonons without disrupting electron transport. Consequently, the optimized composition (x = 0.01) exhibits a remarkable enhancement in power factor at 300 K and maintains an average ZT of ~1.0 across 300–400 K. The material also demonstrates excellent mechanical properties and thermal stability, making it particularly suitable for near-room-temperature applications. Our findings not only establish an effective strategy for GB engineering in Mg3(Sb,Bi)2 systems but also provide valuable insights into the rational design of high-performance thermoelectric materials through interface modification.
Chinese Journal of Environmental Engineering•2026•DOI: 10.12030/j.cjee.202509035
Aerobic granular sludge (AGS) is an economical and efficient technology, yet its application has been largely confined to sequencing batch reactors (SBRs). This study introduces a novel continuous-flow self-circulating upflow granular sludge bed (Zier) process with separate aeration for treating real domestic wastewater. By regulating operational parameters, the nitrogen removal performance and granular sludge stability were investigated. Under hydraulic retention time of 10 h, self-circulation times of 29–58, and upflow velocity of 11–18 m·h−1, effluent NH4+-N and TN averaged (5±3.4) mg·L−1 and (10±2.8) mg·L−1, respectively, with COD at (30±6.2) mg·L−1. The process maintained sludge stability: mixed liquor suspended solids increased from 5,080 to 6,650 mg·L−1, mean particle size was 209.6 μm, and sludge volume index (SVI) remained at 50–60 mL·g−1. Extracellular polymeric substances (EPS) increased from 26.05 to 68.27 mg·g−1, with proteins (PN) rising from 21.26 to 59.44 mg·g−1 and polysaccharides (PS) from 4.79 to 8.82 mg·g−1, elevating the PN/PS ratio from 4.4 to 6.7. These results confirm that the Zier process preserves granular structure and function in continuous flow. The process demonstrates robust nitrogen removal and offers a novel approach for continuous-flow AGS applications in real wastewater treatment.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3839-4
Broadband optoelectronic memristors with high computational efficiency and low power consumption are pivotal for neuromorphic computing at the edge. This work presents a Ag/WO3−x:N/ZnO:N/ITO memristor exhibiting dual-modal synaptic plasticity. Electronic synaptic properties emulate biological plasticity, while photoresponse to multiple wavelengths, including simultaneous dual-wavelength stimulation, yields composite photocurrents. Leveraging these characteristics, single- and dual-wavelength artificial vision arrays simulate human visual perception. An artificial neural network integrated with a Field Programmable Gate Array (FPGA) forms a floating-point arithmetic system for object detection. The edge computing system achieves a 103-fold reduction in power consumption, addressing computational power limitations and enabling floating-point operations in embedded neuromorphic deployments. This work advances broadband optoelectronic synapses for efficient, low-power edge computing.
Environmental Chemistry•2026•DOI: 10.7524/j.issn.0254-6108.2026030202
High nitrogen (N) inputs, low N use efficiency, and substantial greenhouse gas emissions constrain sustainable double-cropping rice production in the middle and lower reaches of the Yangtze River. To evaluate whether humic acid urea (HAU) can reconcile yield stability with N reduction and carbon mitigation, a field experiment was conducted in a double-cropping rice system. Five treatments were established: conventional urea at the recommended N rate (U), HAU at the recommended N rate (HAU), conventional urea with a 20% reduction in N input (U-20), HAU with a 20% reduction in N input (HAU-20), and a no-N control (CK). Rice yield, N uptake and utilization, and the full life-cycle carbon footprint were quantified. Results showed that HAU significantly increased double-cropping rice yield by 6.46% (early rice) and 8.76% (late rice) compared to U (P < 0.05). HAU-20 maintained yield equivalent to U, while U-20 significantly reduced yield. HAU-20 significantly improved nitrogen fertilizer apparent utilization rate, agronomic efficiency, and partial factor productivity. Specifically, apparent utilization rate increased by 9.24 percentage points (early rice) and 7.80 percentage points (late rice); agronomic efficiency increased by 18.51% and 26.69%, and partial factor productivity by 22.79% and 25.58% for early and late rice, respectively (P < 0.05). Life-cycle carbon footprint was significantly reduced by 26.25% (early rice) and 40.38% (late rice) under HAU-20 compared to U, with per-unit product carbon footprint reduced by 0.22 t CO2-eq·t−1 and 0.86 t CO2-eq·t−1, respectively. The reduction was primarily attributed to decreased CH4 and N2O emissions: early rice CH4 and N2O cumulative emissions decreased by 28.92% and 44.34%, and late rice by 44.46% and 63.85% (P < 0.05). In conclusion, HAU with 20% N reduction sustains yield, enhances N use efficiency, and significantly lowers carbon footprint, offering a viable path for green and low-carbon double-cropping rice production.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3981-7
Solution-processable quasi-2D perovskites are promising laser gain media due to their high exciton binding energy and improved stability relative to 3D counterparts. However, conventional synthesis yields mixed n-value phases, introducing interfacial defects and energetic disorder that impede charge injection into desired emission centers. Here, we report the first demonstration of stimulated emission from a phase-pure quasi-2D perovskite (n=8) achieved via a solvent-sieving method for selective phase removal. This dynamic purification yields near-unity phase purity (99.85%) with no detectable low-n phases, as confirmed by X-ray diffraction and ultraviolet-visible spectroscopy. The phase-pure film exhibits a narrower and more intense (001) diffraction peak (FWHM 0.16 nm, intensity 16,129) compared to pristine films (FWHM 0.22 nm, intensity 3,304), indicating enhanced crystallinity and increased grain size. Time-resolved photoluminescence reveals a prolonged carrier lifetime of 6.98 ns, suggesting reduced trap density. Atomic force microscopy shows a nearly pinhole-free surface with root mean square roughness of 1.18 nm. Consequently, the amplified spontaneous emission threshold is reduced to 13.82 μJ cm−2, a 12.5% improvement over conventional mixed-phase films (15.8 μJ cm−2). This work provides an efficient route to pure-phase quasi-2D perovskites for low-threshold lasers.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-4006-4
Hydrogels, despite their potential in flexible electronics and wearable sensors, often suffer from inadequate mechanical robustness under sustained loading. This study aims to overcome this limitation by developing a novel nanocomposite hydrogel system through the integration of calcium-polyoxometalate sub-nanometer wires (Ca-POM SNWs) into a polyvinyl alcohol (PVA) matrix. Utilizing a H2O/ethylene glycol (EG) binary solvent, the hydrogel achieves uniform dispersion of Ca-POM SNWs, which enhances mechanical properties through dual reinforcement mechanisms: stress dissipation via polymer-mimetic flexibility and crystallinity improvement via hydrophobic ligand-induced chain alignment. The resulting PVA/Ca-POM hydrogel exhibits exceptional performance, including a 2.4-fold increase in fracture stress (0.85 MPa), 3.8-fold toughness enhancement (2.76 MJ m−3), and high ionic conductivity (3.6 S m−1). As a strain sensor, it achieves a gauge factor of 2.56 with rapid response, enabling precise detection of both large joint movements and subtle physiological vibrations. A prototype Morse code communication system further demonstrates its potential in assistive healthcare technologies, facilitating barrier-free, real-time communication between disabled patients and clinicians. This work highlights a breakthrough in inorganic-organic interface compatibility, offering a versatile platform for next-generation wearable technologies and extreme-environment applications. The innovative design principles and multifunctional performance underscore its significance in advancing soft material engineering.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3878-5
Borides, exhibiting complex bonding and structural diversity, are promising materials in the fields of ambient superconductivity and hard materials. Although some cage borides with either superhard or superconductivity have been reported, there is still a lack of systematic tuning of the metal centers in regulating their superconductivity and hardness. This study investigates the impact of s-block/d-block metal elements on the superconducting and hardness properties of boron cage lattices under ambient conditions. Using first-principles calculations, we predict a novel class of stable cage-like metallic borides, MB8 (M = Na, Be, Mg, Sr, Sc, Y, Ti, Zr, Hf, V, Nb, Ta) characterized by metal embedded in B–B sublattices composed of 4/8 member B-rings. Superconductivity, hardness, and electronic structure calculations indicate that s-block and d-block metals influence the p-orbital occupancy of B bands, affecting both the electron-phonon coupling (EPC) constant and the bonding strength. In general, within the I422 MB8 (B16 cage) structural family investigated here at ambient pressure, s-block metals enhance the EPC constant (λ) and favour higher superconducting critical temperature (Tc) but weaken the hardness, whereas d-block metals contribute the opposite. Therefore, the Tc of NaB8 reached 24.4 K, which is among the highest values reported for boron cage compounds, while ZrB8 from d-block metals exhibits the highest hardness (21.9 GPa) among. This work proposes a pathway for designing novel superconductors with robust mechanical performance under ambient pressure and elucidates the distinct roles of s-block and d-block metals in modulating the superconductivity and hardness of cage-like borides.
Journal of Fuel Chemistry and Technology•2026•DOI: 10.1016/S1872-5813(26)60710-4
Lignin pyrolysis is a promising route for sustainable production of high-value phenolic chemicals, yet the intricate radical reaction network remains a major bottleneck to optimizing product selectivity. This work constructs a standardized DFT computational database that systematically describes the fast pyrolysis of vanillyl alcohol at 823.15 K. The database features three key components: primary reaction pathways, thermodynamic energy barriers, and atomic-level electronic fingerprints. The dataset covers primary reaction pathways, secondary rearrangements, and both global and local reactivity indices of key intermediates. Notably, it innovatively integrates electronic-structure fingerprints, filling the gap in reaction-network–electronic-property correlation data. Standardized computational workflows and rigorous quality control ensure accuracy, consistency, and reproducibility. The public release of this dataset provides a reliable theoretical benchmark for mechanistic studies of lignin pyrolysis and offers foundational data support for rational design of new catalysts and refinement of reaction kinetic models. Ultimately, this database not only provides an important reference for data-driven catalyst development but also lays a theoretical foundation for precise regulation of lignin depolymerization.