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🏛️ Key Research Academy17 Indexed Works

Harbin Institute of Technology

Verified scientific contributions, CAS laboratory outputs, clinical trial papers, and engineering breakthroughs produced by researchers and faculty affiliated with Harbin Institute of Technology.

SCIENCE CHINA Materials•2026

Efficient Ultranarrow-Band Red Eu³⁺ OLEDs Enabled by Modulated Energy Transfer and Charge Transport

Authors: YE Mingyu, HE Wei, TONG Kaining, LI Zehao, QIU Luhao, WU Chengcheng, CHEN Zuochang, XU Han, KANG Feiyu, WEI Jun, LI Jun, WEI Guodan

Europium(III) complexes offer intrinsically narrow red emission (full-width at half-maximum < 5 nm) that is highly desirable for ultrahigh-definition displays, yet their electroluminescence performance is severely limited by unbalanced charge transport and inefficient energy transfer. This work reports a molecular design strategy that modulates both energy transfer and charge transport in Eu³⁺ OLEDs. The synthesized complex, Cz-Eu, incorporates a carbazole-functionalized ancillary ligand to facilitate host–guest energy transfer and hole transport. The single-crystal structure was deposited (CIF: Cz-Eu-cif.cif) and subjected to PLATON validation, which flagged 3 type-1 alerts (CIF construction/syntax errors), 8 type-2 alerts (possible structural model deficiencies), 12 type-3 alerts (low structure quality), and 4 type-4 alerts (improvement suggestions), with no duplication detected. These crystallographic alerts indicate that the reported structure requires further refinement before it can be considered reliable. Nevertheless, the device metrics demonstrate a promising route: the optimized OLED achieves efficient ultranarrow-band red emission, with the potential for high color purity and reduced power consumption. The findings underscore the critical role of ligand engineering in balancing charge fluxes and fostering efficient energy transfer, providing a viable pathway for next-generation red emitters. However, the structural ambiguities highlighted by the PLATON analysis warrant cautious interpretation of the structure–property relationships and suggest that additional crystallographic and device stability studies are necessary to substantiate the claimed performance.

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SCIENCE CHINA Materials•2026

From Coil to Rotation: A Bat-Inspired Light-Driven Soft Robot with Self-Sustained Oscillation

Authors: CHEN He, CHEN Zhong, LIU Zonglin, FEI Teng, ZHAO Xu, YAN Qian, XUE Fuhua, ZHENG Haowen, LIAN Huanxin, CHEN Yunxiang, BAO Baiqiao, LI Han, LIU Shuo, PENG Qingyu, HE Xiaodong

Self-sustained oscillation in soft actuators enables autonomous, untethered robotic locomotion, yet existing light-driven systems suffer from low oscillation frequencies, rapid photothermal degradation, and reliance on external controllers. This work presents a bat-inspired soft robot that converts continuous near-infrared (NIR) irradiation into sustained rotational motion via a coiled MXene-based liquid crystal elastomer (LCE) actuator. The actuator integrates Ti3C2Tx MXene nanosheets as photothermal converters within an LCE matrix, achieving a photothermal conversion efficiency of 78.3% and a steady-state temperature of 142 °C under 1.5 W cm−2 NIR (808 nm). The coil geometry induces a self-shadowing effect that generates periodic light exposure, producing autonomous oscillation at 2.7 Hz with an amplitude of 45°. The robot demonstrates a rotational speed of 120 rpm and a specific power density of 3.2 W kg−1, outperforming previously reported light-driven oscillators by a factor of 2.5. Under continuous operation for 10,000 cycles, the actuator retains 92% of its initial oscillation amplitude, with a degradation rate of 0.008% per cycle. The bat-inspired wing morphology enables directional rotation and obstacle avoidance in confined spaces. This platform eliminates the need for external modulation, offering a scalable route to autonomous soft robotics for inspection, environmental monitoring, and micro-manipulation.

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SCIENCE CHINA Materials•2026

Strategic Inner/Outer Side-Chain Tuning for High-Efficiency Green-Solvent-Processed Organic Solar Cells

Authors: LIU Wei, LIANG Wenting, ZOU Bosen, ZHAO Chaoyue, WANG Feifei, ZENG Ping, AN Juan, KONG Zhen, NIU Jiaxin, CHEN Shangshang, YAN He, WANG Yufei, ZHANG Guangye, ZHANG Jianquan, HU Huawei

The rapid development of halogen-free solvent-processed organic solar cells (OSCs) has been enabled by side-chain modification on small molecular acceptors, yet the structure-property relationship between inner/outer chain lengths and device performance remains unclear. This study systematically investigates five non-fullerene acceptors (NFAs) with varied side-chain positions and architectures, clarifying the effects of inner versus outer modifications on energy level distribution, film morphology, and carrier dynamics. Notably, longer alkyl chains are not always superior; excessive solubility reduces molecular packing order. The optimized PM6:BTP-TO12 blend achieves a power conversion efficiency (PCE) of 18.2%. Furthermore, ternary OSCs incorporating BTP-TO12 as a guest material reach a remarkable PCE of 19.5%, enhancing the performance of L8-BO-based devices processed with green solvents. This improvement is attributed to the low energy loss and well-controlled aggregation behavior of BTP-TO12 in environmentally friendly toluene. These findings establish a design guideline for side-chain engineering in green-solvent-processed OSCs, achieving state-of-the-art performance and advancing scalable, eco-compatible photovoltaic technologies.

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SCIENCE CHINA Materials•2026

Mechanisms for low temperature densification and enhanced mechanical properties of (Ti, Zr, Hf, Nb, Ta)(C, N) using CrSi2 as an additive: formation of (Ti, Zr, Nb)2Cr4Si5 and grain boundary strengthening

Authors: Liansen Xia, Shun Dong, Lumeng Wang, Kaixuan Gui, Xinghong Zhang, Yanchun Zhou

High-entropy carbonitride ultra-high temperature ceramics (HECN-UHTCs) typically require high densification temperatures, leading to grain coarsening and degraded mechanical properties. This study introduces CrSi2 as a sintering additive for (Ti, Zr, Hf, Nb, Ta)(C, N), effectively reducing the densification temperature by 200 °C. During sintering, interdiffusion and cation exchange result in the formation of an orthorhombic (Ti, Zr, Nb)2Cr4Si5 phase within the ceramic matrix. The resulting dual-phase ceramic exhibits a hardness of 24.65 ± 0.23 GPa and a fracture toughness of 6.03 ± 0.48 MPa m1/2, significantly surpassing most reported HECN-UHTCs. Enhanced mechanical properties are attributed to crack deflection, increased localized lattice strain, and Cr grain boundary segregation. This liquid phase-assisted low-temperature sintering strategy offers a promising pathway for densifying other ultra-high temperature ceramics.

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SCIENCE CHINA Materials•2026

Axial orbital hybridization enables single-atom Fe-N-C hollow microplates for efficient oxygen reduction

Authors: Fei-Xiang Ma, Jianghua Wu, Xiongyi Liang, Guobin Zhang, Zheng-Qi Liu, Hong-Shuang Fan, Jian Lu, Cheng-Yan Xu, Xiao Cheng Zeng, Yang Yang Li

Metal single-atoms with optimized coordination structure on highly accessible substrate can maximize the metal utilization efficiency along with enhancing catalytic activities. Herein, axial nitrogen-coordinated Fe-N5 sites on N-doped carbon (denoted as FeN5@N-C) hollow microplates are fabricated via a unique Fe3+-chelated polydopamine assisted hollowing strategy using ZIF-L microplates as multifunctional templates. Due to the powerful chelating and adhesive ability of polydopamine, this hollow-carbon strategy can be extended to fabricate single-atom Fe-N-C hollow structures with different shapes and encapsulate other transition-metal single atoms (Ni, Co, Mn, and Cu) into the N-doped carbon hollow microplates. The FeN5@N-C hollow microplates exhibit outstanding oxygen reduction reaction (ORR) capability with an impressive half-wave potential of 0.93 V vs. reversible hydrogen electrode and high stability, which can serve as air-cathode catalysts for high-performance Zn-air batteries with high peak power density of 225.3 mW cm−2 and stable cyclability of up to 400 h. Comprehensive analysis and theoretical calculations elucidate that axial nitrogen coordination in Fe-N5 catalytic sites, unlike the planar Fe-N4 configuration, can compete well with the bonding of OH* through additional 3d-2p orbital hybridization, thereby giving moderate bonding strength to enhance the ORR activity.

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SCIENCE CHINA Materials•2026

Interface Engineering of MXenes for Flexible Energy Storage and Harvesting

Authors: CHEN Si, CHANG Libo, ZHANG Guozheng, XIE Wenke, XIAO Xu

Flexible energy storage and harvesting devices, as core components of flexible electronic systems, have driven the transformation from external power supply to self-powering and from fixed forms to adaptive configurations, playing a pivotal role in wearable technology and the Internet of Things. MXenes, a class of two-dimensional transition metal carbides, nitrides, and carbonitrides, are promising candidates due to their excellent conductivity, mechanical flexibility, and tunable interfacial characteristics. Specifically, interfacial characteristics—surface energy, surface terminations, and interlayer spacing—decisively influence device performance. This review summarizes the influence of microcosmic interfacial characteristics on macroscopic properties, interfacial regulation strategies, and applications in flexible energy storage and harvesting. It concludes with challenges and perspectives for designing high-performance MXene-based energy devices. Key applications include flexible supercapacitors, batteries, and triboelectric nanogenerators. For instance, pillared Ti3C2 via CTAB pre-pillaring and Sn4+ pillaring regulates interlayer spacing, enhancing ion transport. The review integrates recent advances, such as MXene/nylon scaffolds for dendrite-free zinc anodes and MXene-bonded hard carbon films for sodium/potassium storage, demonstrating improved cycling stability and rate capability. The interfacial engineering strategies discussed provide a roadmap for overcoming stacking issues and achieving high energy density and mechanical robustness.

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SCIENCE CHINA Materials•2026

Green Separation Membranes for Water Sustainability: A Breakthrough in Biodegradable Nanofiltration Technology

Authors: Xiaobin Yang, Haoyang Wang, Lu Shao

Water scarcity, exacerbated by organic micropollutant contamination and climate change, necessitates energy-efficient, eco-friendly purification technologies. Membrane separation has emerged as a transformative solution, outperforming energy-intensive processes such as distillation. Traditional chemical separations, dominated by distillation, consume 10%–15% of global energy, whereas advanced membrane technologies can reduce energy use by up to 90%. However, membrane separation is hampered by reliance on toxic petrochemical feedstocks and persistent microplastic pollution from nonbiodegradable end-of-life membranes. Shao's group addresses both gaps with a sustainable nanofiltration membrane (SNFM) crafted entirely from low-hazard, renewable components. The substrate polylactic acid (PLA), a biodegradable polyester derived from corn starch, is processed via modified nonsolvent-induced phase separation (NIPS) to form a porous yet strong support. For the selective layer, toxic aromatic monomers are replaced with xylitol (a plant sugar alcohol) and dopamine (DA, a biogenic amine), and green solvents such as dimethyl sulfoxide are used to avoid volatile organic compound emissions. Compared with commercial alternatives, this design yields a membrane with exceptional dual functionality: it maintains high separation performance (928% greater permeance, 92% bisphenol A rejection, and 89% Na2SO4 rejection) and low fouling (protein adsorption ≤12 μg cm−2) over 30 days. A life cycle assessment reveals a 62% reduction in carbon footprint compared with petrochemical-based membranes, whereas soil biodegradation tests confirm 90% breakdown within 6 months, driven by Delftia and Tissierella microbes. By eliminating microplastic waste and toxic inputs, this SNFM bridges the divide between performance and environmental responsibility, offering a scalable blueprint for next-generation green membranes in water treatment and beyond.

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Chinese Journal of Environmental Engineering•2026

Simplified Estimation of Indoor Air Quality Based on Material Pollutant Emission Rates and Concentration Responses

Authors: SUN Mingzhuo, SHEN Chao, BI Xuesong, WANG Fang, DENG Weicai

To enhance the engineering practicality of pollutant pre-assessment, this study conducted environmental chamber tests for formaldehyde and TVOC emissions from 34 common decoration materials (25 solid and 9 liquid categories). Using the IndoorPACT software, variations in indoor pollutant concentrations under different material area loading rates and air change rates were simulated. Taking Harbin as a case study, concentration response ranges for various single materials under different area loading and ventilation conditions were simulated, leading to the construction of a simplified concentration prediction reference table. Results indicate that indoor pollutant concentrations from both solid and liquid materials peak on the second day after decoration, but decay rates differ significantly: liquid materials decrease by 70%–90% within about one week, and given their typically higher area loading rates in real projects, they exert a more significant impact on indoor air quality in the early post-decoration period. In contrast, solid materials decay more slowly and become the dominant long-term pollution source. The simplified estimation method based on these emission characteristics demonstrates good engineering applicability, providing effective reference for material selection, scheme comparison, and preliminary indoor air quality prediction and control in actual decoration projects.

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Environmental Chemistry•2026

Research Progress on Potassium Permanganate Activated by Carbon Materials for Degradation of Organic Pollutants

Authors: LI Junjie, LIANG Zhijie, ZHANG Jing, MA Jun

Potassium permanganate (KMnO4) oxidation is a promising technology for organic pollutant removal in water due to its low cost and broad pH applicability. However, its moderate oxidation capacity results in slow degradation rates for refractory organic compounds. Carbon materials (CMs), known for their accessibility, stability, and environmental compatibility, have shown great potential in enhancing KMnO4 oxidation. This paper provides a comprehensive review of recent advancements on the enhancement of KMnO4 oxidation of organic pollutants by CMs. The performance and suitability of various CMs in improving KMnO4 oxidation were systematically compared. Additionally, two key mechanisms driving the degradation of organic pollutants in the KMnO4/CMs system were elucidated, along with a discussion on the recycling and regeneration of CMs. Finally, future research directions and development trends for this technology were outlined, aiming to offer insights to advance the practical application of KMnO4/CMs system in water treatment.

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SCIENCE CHINA Materials•2026

Grain refinement and improved properties of an as-cast Ti-47Al-2Cr-2Nb alloy by pre-deformation heat treatment

Authors: Chuan Rong, Xin Du, Zedong Liu, Yunlu Ma, Jieren Yang, Ruirun Chen

The mechanical properties of as-cast TiAl alloys are severely limited by their coarse as-cast microstructure. This study proposes a low-temperature pre-deformation heat treatment to refine the microstructure of an as-cast Ti-47Al-2Nb-2Cr alloy. The process involves pre-deformation below the eutectoid temperature followed by heat treatment in the α+γ phase field, yielding two distinct microstructures: duplex (DP) and nearly lamellar (NL). The average lamellar colony size was reduced to 5.3% and 20% of the as-cast size for DP and NL structures, respectively. Microstructural evolution analysis reveals that the decomposition of coarse lamellar colonies and the formation of fine grains are governed by γ recrystallization, γ→α phase transformation, and α recrystallization. Remnant colonies after deformation are completely eliminated by subsequent heat treatment, enhancing microstructural homogeneity and mechanical properties. The DP alloy exhibits an ultimate tensile strength (UTS) of 537 MPa and an elongation (EI) of 6.8% at 800°C, representing increases of 44.7% and 518.2% over the as-cast alloy, respectively. Analysis of crack propagation and deformation mechanisms indicates that grain refinement and lamellar structure refinement contribute to improved deformation ability. This work provides a viable pathway for optimizing as-cast TiAl alloys for high-temperature applications.

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SCIENCE CHINA Materials•2026

Phase Penetration: Key Drivers in Barrier Layer Failure of Hf-free Half-Heusler Thermoelectric Modules

Authors: Fushan Li, Shuyao Li, Hao Wu, Yu-Ke Zhu, Wenjing Shi, Xin Bao, Yifan Jin, Lankun Wang, Xingyan Dong, Fengkai Guo, Wei Cai, Jianbo Zhu, Zihang Liu, Jiehe Sui

High-temperature interfacial diffusion in Half-Heusler (HH) thermoelectric devices poses significant challenges for practical applications, particularly the diffusion of Ag from conventional solders, which degrades material performance and device stability. This study reveals anomalous Ag diffusion through a Cr powder barrier layer into Ti0.5Zr0.5NiSn0.98Sb0.02, driven by Sn phase penetration. In contrast, employing a Cr foil barrier layer pre-densified the material, effectively preventing Sn phase penetration and eliminating Ag diffusion pathways, thereby preserving junction integrity. After aging at 973 K for 30 days, the Cr foil junction maintained a clean interface with a low contact resistivity of 0.27 μΩ cm2. Benefiting from this interfacial design, a Hf-free HH module achieved a high conversion efficiency of 10.4% at a hot-side temperature of 976 K, alongside long-term stability. This work addresses critical bottlenecks in developing high-performance, low-cost HH modules, facilitating their commercial application in waste heat recovery.

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Chinese Journal of Environmental Engineering•2026

Pilot Trial on Endogenous Pollution Control in Hejia Ditch, Harbin: Efficacy and Mechanisms of Sediment Elutriation

Authors: WANG Huazhe, MENG Zhaohui, WANG Miao, GUO Wanqian

To support the construction of an ecologically clean small watershed in Harbin, a pilot-scale trial of sediment elutriation was conducted in the Hejia Ditch to evaluate its effectiveness in controlling endogenous pollution and to elucidate the underlying mechanisms. After treatment, sediment organic matter, total nitrogen (TN), and total phosphorus (TP) decreased by 5.11%, 10.19%, and 8.71%, respectively. Water transparency, dissolved oxygen (DO), and oxidation-reduction potential (ORP) increased by 102.46%, 11.07%, and 15.66%, while chemical oxygen demand (COD) and ammonia nitrogen (NH4+-N) removal rates reached 35.67% and 22.65%. The technology effectively removed surface suspended sediment, leaving a stable layer of coarse inorganic particles that formed a clear mud-water interface. Post-treatment, clay content decreased by 8.87%, sand content increased by 12.37%, and median (D50) and 90th percentile (D90) particle sizes increased by 32.39% and 159.97%, respectively. Mechanical disturbance and particle size redistribution enhanced oxygen transfer at the interface, increasing the abundance of facultative anaerobic phyla such as Chloroflexi and Spirochaetes, thereby suppressing the generation of odorous gases (H2S, NH3) and preventing sediment resuspension. Increased microbial diversity and richness improved ecosystem stability and self-purification capacity. These results demonstrate that sediment elutriation is an effective method for controlling endogenous pollution in Hejia Ditch, providing a scientific basis for ecological restoration and long-term management.

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Journal of Environmental Engineering Technology•2026

Integration of Carbon Capture, Utilization and Storage with Molten Salt Thermal Energy Storage and Microalgal Carbon Fixation for Circular Development in the Thermal Power Sector

Authors: GU Xuedian, DENG Jiakang, CHANG Haixing, Shih-Hsin HO, REN Nanqi

Under the synergistic policy framework of carbon peaking, carbon neutrality, and the circular economy, existing carbon capture, utilization, and storage (CCUS) projects in coal-fired power plants (CFPPs) face significant challenges, including high regeneration energy demand, reliance on turbine steam extraction, limited carbon utilization pathways, poor economic viability, and difficulties in by-product management. This study proposes an integrated low-carbon retrofitting strategy that couples molten salt thermal energy storage (TES) and microalgal carbon fixation systems with existing CCUS facilities under minimal plant modification. A closed-loop carbon and energy utilization framework is established, integrating waste heat recovery, primary CO2 capture, secondary biological carbon fixation, and biomass fuel recycling. The system operates through a gradient synergistic mechanism: (i) recovered waste heat is stored in a molten-salt TES unit to provide regeneration energy, replacing conventional steam extraction; (ii) CO2 is initially captured by the CCUS process; (iii) residual CO2 is further utilized by microalgae for deep carbon fixation; and (iv) harvested algal sludge is converted into biomass fuel for co-firing within the power plant, completing the carbon recycling loop. The technical architecture, coupling mechanisms, scenario-specific implementation pathways, and operational risk control strategies are systematically evaluated. Results indicate that the integrated system can reduce energy consumption by approximately 30%–40% per unit of CO2 captured, increase overall carbon fixation efficiency by 15%–20%, and shorten the investment payback period to less than five years. The framework enables transformation of conventional coal-fired power plants from single-purpose energy producers into multifunctional circular systems integrating energy generation, carbon cycling, and resource recovery. Owing to technological maturity, adaptability to different plant capacities and geographical conditions, and a clear deployment roadmap, this solution provides a practical, replicable, and scalable pathway for low-carbon and circular transition.

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SCIENCE CHINA Materials•2026

Shape Memory Quasi-Liquid Slippery Surface for Programmable Droplet Manipulation

Authors: Xuan Zhang, Deping Ma, Liang Geng, Yuan Chen, Yuyan Liu, Hua Lai, Zhimin Xie, Zhongjun Cheng, Lei Jiang

Shape memory droplet manipulation platforms have attracted significant attention due to their programmable droplet control capabilities. Current research primarily focuses on superhydrophobic surfaces and slippery lubricant-infused porous surfaces (SLIPS); however, these approaches suffer from vulnerable surface micro/nanostructures and loss of lubricant oils. Here, we report a shape memory quasi-liquid polydimethylsiloxane (PDMS) brush surface that overcomes these limitations. The surface is fabricated by introducing a SiO2 layer as a 'bridge' on a shape memory epoxy substrate, providing abundant functional groups for grafting PDMS brushes. By precisely controlling the SiO2 layer thickness and grafting conditions, the surface exhibits good shape memory properties and low adhesion to diverse liquids with varying surface tensions. Reversible anisotropic/isotropic droplet sliding control for both water and organic droplets is demonstrated through dynamic introduction/removal of groove structures, proving excellent droplet manipulation based on the combination of shape memory and low adhesion of PDMS brushes. Furthermore, the material can be applied as a functional coating on diverse substrates to impart anti-fouling and self-cleaning properties. This work introduces a nanoscale SiO2 layer as a 'bridge', offering a strategy to graft PDMS brushes onto polymer surfaces. Given the advantages of quasi-liquid PDMS brushes and programmable controllability of shape memory polymers, this work provides fresh ideas for developing droplet manipulation platforms.

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SCIENCE CHINA Materials•2026

Single Metal Atom Breaks Low-Frequency and High-Temperature Absorption Barrier

Authors: PENG Wu, DING Yukun, FENG Jing

The advancement of 5G/6G communications and hypersonic vehicle technology imposes stringent requirements on electromagnetic wave absorbing materials, demanding efficient low-frequency (C-band, 4–8 GHz) response and stable performance above 500°C in oxidizing environments. Traditional absorbers face inherent contradictions: carbon-based composites suffer oxidation, magnetic materials lose function above Curie temperature, and ceramics like SiOC exhibit poor low-frequency absorption due to single dielectric loss. Zeng et al. (Adv Mater, 2026) propose a nitrogen-induced evolution from Fe nanoparticles to Fe single atoms within SiOC ceramic fibers. Through electrospinning of polycarbosilane, PVP, and iron(III) acetylacetonate, followed by curing at 200°C and pyrolysis at 1000°C with dicyandiamide as nitrogen source, they achieve Fe-N4 single-atom coordination. EXAFS confirms Fe-N peak at ~1.5 Å and absence of Fe-Fe peak at ~2.2 Å, ruling out clusters. This design leverages strong Fe-N covalent bonds and unique electronic structure, retaining magnetic contribution to low-frequency response while preventing nanoparticle agglomeration and oxidation. The work achieves synergistic breakthrough in low-frequency absorption and high-temperature stability, pioneering design for extreme environments.

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SCIENCE CHINA Materials•2026

Copper-based single-atom catalysts for synergistic antibacterial action: synthesis, mechanisms, and multifunctional applications

Authors: DU Mingyue, CHEN Shu, ZHANG Mengyu, WANG Aizhu, CAI Lihan, MA Wenqing, YU Xin, DING Longhua

Bacterial infections and the accelerating rise of antimicrobial resistance (AMR) demand innovative antibacterial strategies beyond conventional antibiotics. Copper single-atom catalysts (Cu-SACs), featuring atomically dispersed active sites and tunable electronic structures, offer potent multimodal catalytic antibacterial functions. This review summarizes recent advances in the design, mechanisms and applications of Cu-SACs in antimicrobial technologies. We first outline four major synthesis routes: thermal activation, solvent-mediated strategies, energy-intensive methods and template-etching approaches, enabling high loading, stable anchoring and scalable, environmentally compatible production. We then dissect the multimodal antibacterial mechanisms of Cu-SACs: functioning as nanozymes to catalyze reactive oxygen species (ROS) generation; acting as photosensitizers to enable photocatalytic and photothermal bactericidal activity; and integrating these pathways with gas therapy, controlled ion release and immune modulation to construct multidimensional antimicrobial networks capable of eradicating drug-resistant bacteria and biofilms. We further discuss the substantial potential of Cu-SACs across three application domains: chemical-free, high-efficiency disinfection and real-time monitoring in water purification; durable self-disinfecting performance in antimicrobial textiles; and precision infection management in biomedical settings through integrated “bactericidal-anti-inflammatory-tissue-repair” therapeutic frameworks for both superficial and deep-tissue infections. Finally, we examine the challenges and future directions for the clinical translation and precise antimicrobial deployment of Cu-SACs, providing a conceptual foundation and practical guidance for advancing atomically engineered antibacterial materials from laboratory research to industrial applications.

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SCIENCE CHINA Materials•2026

COFAP: A Universal Framework for COFs Adsorption Prediction through Designed Multi-Modal Extraction and Cross-Modal Synergy

Authors: Zihan Li, Mingyang Wan, Mingyu Gao, Xishi Tai, Zhongshan Chen, Xiangke Wang, Feifan Zhang

Covalent organic frameworks (COFs) are promising adsorbents for gas adsorption and separation, yet identifying optimal structures among their vast design space requires efficient high-throughput screening. Conventional machine-learning predictors rely heavily on specific gas-related features, which are time-consuming and limit scalability, leading to inefficiency and labor-intensive processes. Here, we propose COFAP, a universal COFs adsorption prediction framework that extracts multi-modal structural and chemical features via deep learning and fuses these complementary features through a cross-modal attention mechanism. Without relying on explicit gas-specific thermodynamic descriptors, COFAP achieves state-of-the-art prediction performance on the hypoCOFs dataset under the conditions investigated, outperforming existing approaches. Based on COFAP, we found that high-performing COFs for gas separation concentrate within a narrow range of pore size and surface area. A weight-adjustable prioritization scheme is also developed to enable flexible, application-specific ranking of candidate COFs. Superior efficiency and accuracy render COFAP directly deployable in crystalline porous materials.

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