Oxygen vacancies are crucial for enhancing oxygen ion transport in solid-state materials. Therefore, an approach was established to efficiently adjust the surface oxygen vacancy concentration in the solid oxide fuel cell (SOFC) cathodes. This method employs NaBH solution to capture lattice oxygen on the cathode surface, enabling precise control over both the surface oxygen vacancy concentration and the transition metal ion valence states in spinel CoFeO (CFO) by modulating the NaBH treatment duration. The results indicate that CFO-10, treated with NaBH solution for 10 min, exhibits optimal electrochemical catalytic activity. This enhancement is primarily attributed to the improved oxygen adsorption-dissociation and charge transfer processes. At 750 °C, CFO-10 shows a polarization resistance (Rp) of 0.032Ω cm, representing a reduction of 42.8 % compared to CFO. Additionally, CFO-10 achieves a peak power density (PPD) of 923 mW·cm, representing a 78.5 % increase compared to CFO. This study provides new insights for optimizing SOFC spinel oxide cathode performance and opens a promising avenue for the development of other high-performance catalytic materials.

To improve the efficiency of the oxygen evolution reaction (OER) while minimizing energy consumption and costs, we propose a novel design strategy. Oatmeal, an abundant and inexpensive feedstock rich in carbon (C), nitrogen (N), and oxygen (O), serves as an ideal precursor for biochar synthesis. By utilizing N-doped carbon spheres (NCS) as carriers, we achieved uniform growth of ZIF-67 on their surface through polyvinyl pyrrolidone (PVP) activation. The FeCo layered double hydroxide (FeCo-LDH) was subsequently formed via the etching action of [Fe(CO)]. The incorporation of NCS not only prevents the agglomeration of FeCo-LDH but also enhances the electrical conductivity of the complexes, thereby improving catalytic performance. The overpotential was measured at a modest 317 mV in 1 M KOH at 10 mA cm, with a Tafel slope as low as 44.6 mV dec. This study significantly enhances the catalytic performance of the OER and highlights the potential of biomass-derived carbon in improving OER efficiency.

In this study, a high-throughput point-of-care testing (HT-POCT) system for detecting serum iron was developed using a hydrophobic deep eutectic solvent (HDES) fluorescence detection platform. This machine learning-assisted portable platform enables intelligent and rapid detection of trace iron ions. Blue fluorescent hydrophobic carbon quantum dots (CQDs) were synthesized using the solvothermal method. The CQDs exhibit a notable quantum yield (QY) of 36.6%, demonstrating exceptional luminescent characteristics and precise, sensitive detection capabilities for Fe ions. By incorporating CQDs into specially filtered HDESs, this blend serves a dual function of concentrating iron ions from the sample and facilitating their detection. The collaboration between the two enhances the fluorescence detection signal significantly, while reducing interference from hydrophilic substances. The limit of detection can be as low as 33 nM. The principles of synthesizing HDESs and the process of extracting Fe using HDESs fluorescence detection system were modeled using density functional theory (DFT). As the concentration of Fe increases, the fluorescence signal detected from the sample decreases, accompanied by visible color changes when exposed to ultraviolet light. The machine learning-assisted portable platform is designed to capture fluorescence images of samples directly. The application developed using the YOLOv8 algorithm efficiently analyzes multiple samples in single or multiple images, simultaneously extracting color data from each sample and determining the concentration of iron ions. The Relative Standard Deviations (RSDs) for both single-sample and multi-sample tests were less than 10%. The machine learning-assisted portable platform provides a reliable method for detecting trace iron ions.

Photothermal therapy (PTT) has gained significant attention as a non-invasive treatment in clinical oncology. However, the translation of PTT into clinical practice remains constrained by three fundamental limitations: acquired thermal tolerance in tumor cells, restricted light penetration depth in biological matrices, and insufficient therapeutic outcomes from single-modality treatment. To address these issues, a strategy for forming in situ complexes between near-infrared-II (NIR-II) photothermal agents and proteins is developed, aimed at damaging protein conformation and enhancing PTT effectiveness. We developed a nanoplatform called PCy-SF, consisting of the NIR-II photothermal polymer (PCy) and sorafenib (SF). PCy-SF responds to the tumor microenvironment (TME), specifically releasing Cy-CHO and sorafenib from the assemblies. The released Cy-CHO covalently binds to proteins, forming Cy-Protein complexes that activate NIR-II fluorescence, facilitating NIR-II imaging-guided photothermal therapy. Concurrently, the released SF intensifies microvascular damage, synergizing with PTT for enhanced therapeutic efficacy. Notably, PCy-SF induces a strong anticancer immune response, effectively suppressing tumor recurrence and metastasis. This study introduces a promising protein deactivation strategy for achieving mild-temperature PTT, offering broader applicability of PTT and insights for sensitizing tumors to photothermal therapy. Together, this innovative approach combining NIR-II photothermal agents with protein complexation and a responsive nanoplatform enhances PTT precision and efficacy, demonstrating significant potential in the field of cancer nanomedicine.

Lithium-sulfur (Li-S) batteries have received significant attention due to their high theoretical energy density. However, the inherent poor conductivity of S and lithium sulfide (LiS), coupled with the detrimental shuttle effect induced by lithium polysulfides (LiPSs), impedes their commercialization. In this study, we develop NiCo alloy-decorated nitrogen-doped carbon double-shelled hollow polyhedrons (NC/NiCo DSHPs) as highly efficient catalysts for Li-S batteries. The distribution of NiCo alloy on both the inner and outer shells provides abundant catalytic active sites, effectively adsorbing LiPSs, mitigating the shuttle effect, and promoting the conversion between LiPSs and LiS, even at high sulfur loadings. This results in enhanced redox kinetics within the Li-S system. Moreover, the highly conductive carbon material framework, enriched with carbon nanotubes and graphitic carbon layers, can greatly promote the efficient electron transportation. Additionally, the improved ion diffusion rates benefiting from the hollow structure can also be realized. By harnessing these synergistic effects, Li-S batteries incorporating the double-shelled NC/NiCo DSHP catalysts achieved a high specific capacity of 1310 mAh/g at 0.2C and a superior rate performance of 621 mAh/g at 4C. Furthermore, excellent cycling performance with ultralow capacity fading rate of only 0.045 % per cycle after 800 cycles at 1C was achieved. When sulfur loading reaches 6 mg cm, a high capacity of 4.6 mAh cm at 0.1C after 100 cycles further validates the practical potential of this design. This study presents an innovative approach to alloy catalyst design, offering valuable insights for future research of Li-S batteries.

Flexible photonic materials derived from cellulose nanocrystals (CNCs) have attracted significant attention, particularly in multifunctional sensors, intelligent detection, and anti-counterfeiting applications. However, the major bottleneck with traditional CNC photonic materials is the provision of flexibility and multifunctional properties which often comes with compromises in optical properties. To address these challenges, we incorporated organosolv lignin nanoparticles (LNPs) and polyethylene glycol (PEG) into CNC films. LNPs were produced from sugarcane bagasse using various solvents, resulting in nanoparticles with distinct structural and chemical properties, such as different sizes and surface chemistries. The addition of LNPs and PEG to CNC films led to enhanced flexibility, strong iridescence, improved thermal stability and superior UV-blocking performance. Interestingly, the intercalation of LNPs significantly improved the strain at break by 89.6 % with slight increase of 7.7 % and 23.1 % in tensile strength and young's modulus respectively. Additionally, distinguished UV-blockage performance of up to 99.9 % in the UVB region and 94 % in the UVA region was also achieved in CNC-LNP-PEG films. The films exhibited varying responses to several organic solvents and HCl gas with reversible color changes. These responses were attributed to the distinct surface chemistries of the LNPs, which influenced their interactions with the CNC matrix through mechanisms such as hydrogen bonding and hydrophobic interactions. This study highlights the potential of CNC-LNP-PEG composite films for advanced applications in chemical safety and anti-counterfeiting measures, demonstrating the importance of composite formulation and processing conditions in achieving desirable properties.

Germanium (Ge), as a viable candidate anode material for future sodium-ion batteries, has attracted much attention. However, such material is usually troubled by huge volume changes during charge/discharge process, leading to the rapid degradation of electrochemical performance. Notably, construction of carbon coating layers is a practical strategy to alleviate the volumetric effect of Ge. Moreover, rational design of nanosized Ge with amorphous structure can also significantly enhance its sodium-ion storage performance. Herein, amorphous Ge (a-Ge) encapsulated by nitrogen-doped carbon nanofiber (Ge@NC) was successfully prepared by facile electrostatic spinning technique and annealing treatment. Impressively, the a-Ge nanoparticles are effectively protected by the flexible nitrogen-doped carbon nanofiber (NC), contributing to faster reaction kinetics and improved cycling stability since the high electrical conductivity and buffering effect of the NC layers. In addition, the nanosized Ge with amorphous structure can offer more open framework and higher structural stability. Therefore, the integrated Ge@NC electrode displays a high capacity of 404 mAh g after 300 cycles at 0.1 A g. More excited, the synergistic effect of amorphous structure of Ge and nitrogen-doped carbon layers endow Ge@NC with remarkable long cycle life up to 15,000 cycles at 5 A g.

Advanced multi-functional epoxy coating with physical barrier/shielding against corrosive species, self-repairing-capability/active anti-corrosive behavior, abrasion resistance, and thermomechanical durability was established in this study. For this purpose, zinc/l-cysteine (ZC) inbuilt pH-sensitive covalent organic framework (COF) decorated two dimensional (2D) layered amino-functionalized (Si) oxidized hexagonal boron nitride (ZC-COF-Si-Oh-BN) container was prepared. Different analyses such as FT-IR, XRD, BET, XPS, TGA, TEM, and FE-SEM were utilized to evaluate the synthesized containers and pristine materials. To figure out the function of entry of the ZC-COF-Si-Oh-BN container into the epoxy coating (EC/ZC-COF-Si-Oh-BN), the EIS, salt spray (SS), cathodic disbondement (CD), pull-off adhesion, Taber abrasion, and dynamic mechanical thermal analysis (DMTA) tests were employed. The results revealed that the introduction of the ZC-COF-Si-Oh-BN container into the neat epoxy polyamide coating (EC) improved the physical barrier protection with a value of log |Z| equal to 10.22 even after too long soaking time of 112 days in the saline solution (3.5 wt% of sodium chloride), and recovery-capability/active anti-corrosive behavior with 20.6 % healing degree after 7 h of soaking time. The abrasion weight loss for the EC and EC/ZC-COF-Si-Oh-BN coatings after 2000 abrasion cycles was about 4.8, and 4.1 mg, respectively, with 14.5 % improvement in abrasion resistance.

Aqueous zinc-ion batteries (AZIBs) with redox-active organic compounds as electrodes attract wide attention due to their structural diversity, sustainability and inherent safety. However, the rational structural design of advanced organic electrodes with high practical capacity, long cycle life and high rate performance is still a great challenge. Herein, a strategy to improve the electrochemical performance of electrodes in AZIBs by constructing an extended π-conjugated hexaazatrinaphthalene (HATN)-based structure with electron-withdrawing cyano groups, 5, 6, 11, 12, 17, 18-hexaazatrinaphthalene-2, 3, 8, 9, 14, 15-hexacarbonitrile (HATN-6CN), is reported. The reduced lowest unoccupied molecular orbital (LUMO) energy level improves the discharge voltage to 0.71 V. Furthermore, HATN-6CN features abundant redox-active sites, solvent resistance and a smaller energy gap, enabling stable and rapid co-storage of H and Zn. As expected, HATN-6CN electrode achieves a high reversible capacity of 277mAhg at 0.1Ag, an excellent rate capability of 94mAhg at 10Ag, and a good capacity retention of 65 % after 10,000 cycles at 10 A/g, simultaneously. The ex-situ characterization and theoretical simulation results demonstrate that Zn and H cations coordinate synergistically with CN groups and simultaneously reversibly form zinc hydroxide sulfate hydrate. This work affords an appropriate structural design of advanced organic electrodes for AZIBs.

In-situ synthesized hollow transition metal chalcogenides have gained significant attention on account of their excellent electrochemical properties. Here, Ni-doped V-MOF (V(Ni)-MOF) nanorod arrays as precursor are first grown on nickel foam (NF). Subsequently, the nanorod arrays are converted into V(NiCo)-OH hollow nanotube arrays with cross-linked nanosheets by Co etching. Finally, V(NiCo)-OH/NF is converted into V(NiCo)-X/NF (X = O, S and Se) by annealing or ion exchange. Due to the unique morphology of hollow nanotube arrays with cross-linked nanosheets and synergistic effect of multi-metal components, the V(NiCo)-Se/NF achieves an outstanding specific capacity (1806.7 C g at 1 A g), which is higher than that of V(NiCo)-O/NF (1208.3 C g) and V(NiCo)-S/NF (1558.4 C g). In addition, the capacity retention rate is 91.7 % (at 10 A g after 10, 000 cycles). Utilizing V(NiCo)-Se/NF (positive) and activated carbon/NF (negative), the hybrid supercapacitor (HSC) achieves an impressive high energy density of 114.8 Wh kg (at 679.5 W kg). Moreover, two HSCs in series can power the LED and stopwatch, and keep working for more than 60 min, displaying good practical application capabilities.

This research aims to address the negative impact of global climate change on equipment stability, with a particular focus on the occurrence of icing on working surfaces at low temperature. To this end, we have developed a novel magnetically responsive superhydrophobic surface to enhance anti-icing properties and adapt to environmental changes. We prepared magnetically responsive micro-cilia arrays (MRMAs) with good flexibility and magnetostriction through a facile spray gun coating technique. By adjusting the application mode and distance of the magnetic field, three different morphologies can be achieved: vertical, curved and crossed, thus optimizing water repellency, active anti-icing and passive anti-icing performance. Experimental data show that vertical MRMAs exhibit extremely high contact angles and low droplet adhesion, which facilitates rapid water droplet removal, while curved MRMAs exhibit the lowest ice adhesion strength, which effectively reduces the likelihood of ice formation. In addition, the crossed MRMAs excelled in delaying icing, significantly prolonging the time before water droplets begin to freeze. This research not only provides a novel anti-icing strategy, but also offers new ideas for designing multifunctional surfaces that can adapt to complex environmental conditions.

Developing efficient and durable electrodes for overall water splitting (OWS) in seawater electrolytes is a major challenge. Herein, we synthesized highly active and stable Fe(CoNi)SSe medium-entropy metal sulfoselenide (MESSe) nanoparticles for the electrodes. The Fe(CoNi)SSe MESSe electrode exhibited excellent electrocatalytic performance in alkaline simulated seawater, with a η100 value of 156 mV for the hydrogen evolution reaction and 262 mV for the oxygen evolution reaction. Compared to Fe(CoNi)S sulfide and Fe(CoNi)Se selenide, the electronic structure of Fe(CoNi)SSe MESSe positively modulates the adsorption/desorption process of *H/*OH intermediate and significantly reduces the free energy of the rate-determining step, thereby accelerating the reaction kinetics of both hydrogen/oxygen evolution reactions. The performance of OWS is significantly enhanced by utilizing the prepared electrode, enabling it to achieve 100 mA cm with only 1.77 V in alkaline simulated seawater. Furthermore, the durability of the electrode is maintained at this high current density in alkaline simulated seawater, alkaline seawater as well as seawater electrolyte. This work will lay the foundation for the development of innovative medium-entropy metal sulfoselenides, promoting their application in a wide range of electrochemical energy systems operating under extreme conditions.

Defect engineering has been widely applied to improve the hydrogen evolution reaction (HER) performance of MoS. In this work, a co-doped electrocatalyst on carbon fiber paper (CFP) for HER was prepared by coupling with simple hydrothermal and gas-phase phosphorylation process to improve the durability of the catalyst while enhancing the electrocatalytic performance (Fe-P-MoS/CFP). The results showed that the overpotential at a current density of 10 mA cm (η) of Fe-P-MoS/CFP was only 130 mV, which was much lower than those of other undoped and single-metal atom doping electrocatalysts. Electronic interactions between Fe, P and MoS reduced the local electron densities and changed the electronic structure of Mo and S, leading to the generation of additional p orbitals in the S site, thus optimizing the adsorption-desorption energy of hydrogen in the S site. In addition, compared to Fe-MoS/CFP, Fe-P-MoS/CFP showed better electrocatalytic durability in acidic conditions. The co-doping technique proposed within this study stands to offer a novel approach for amplifying the catalytic activity and stability of electrocatalysts.

As an emerging therapeutic method, the application of sonodynamic therapy (SDT) is hindered by its intrinsic unsatisfactory efficiency, the tumor hypoxia and low tumor specificity. Here, we reported the design of a tumor-targeting multifunctional nanodrug for O-generation/O-economization dually enhanced SDT/chemodynamic therapy (CDT) combination therapy. After the co-encapsulation of sonosensitizer indocyanine green (ICG) and oxidative phosphorylation inhibitor metformin (Met) into hollow MnO (H-MnO) nanoparticles, ICG/Met@H-MnO@MPN-FA (IMMMF) was conveniently prepared through the formation of metal-phenolic networks (MPNs) between Fe and folic acid (FA) immobilized tannic acid (TA, TA-FA) onto its surface. In vitro experiments indicated its selective uptake by 4T1 cells via the specific folate receptors-FA interactions. Responding to glutathione (GSH) and the acidic environment, the decomposition of IMMMF led to the release of Mn and Fe for enhanced CDT, and ICG for SDT. Furthermore, Met was continuously released to reduce O consumption for enhanced SDT. More importantly, IMMMF catalyzed the endogenous HO into O for further enhanced SDT. Expectedly, both in vitro and in vivo antitumor assays confirmed its satisfactory therapeutic efficiency via CDT/SDT synergistic therapy. Hence, this intelligent sonocatalytic nanoagent emerges as a promising candidate for CDT-enhanced SDT, which also provides a novel strategy for dually alleviating tumor hypoxia with better therapy.

Metal organic frameworks (MOFs) are widely used as precursors due to their tunable morphology and high specific surface area. Molybdenum nitride (MoN) and molybdenum carbide (MoC) are promising catalyst materials with electronic structures similar to the noble metal platinum. However, the preparation and modification of the composite systems comprising MoN and MoC are complex, often leading to significant agglomeration and limiting their application in various catalytic fields. In this work, we designed and developed a novel bimetallic Co-MOFs-Mo with a stable and unique framework morphology. By varying the organic ligand content, we controlled the morphology and enhanced the intrinsic electrocatalytic activity through Mo doping. Using the Co-MOFs-Mo sample as the Co source, we fabricated a Co-MoN/MoC catalytic material with a special framework structure. Compared to MoN and MoN/MoC, this catalyst exhibits a larger specific surface area and superior performance in both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). The Co-MoN/MoC catalyst achieves an HER overpotential of 297 mV at a current density of 10 mA·cm and an OER overpotential of 480 mV at 20 mA·cm. This research provides valuable insights into the rational design of molybdenum-based noble-metal-free catalyst materials.

Although photocatalytic disinfection can avoid secondary pollution and other shortcomings compared to traditional disinfection methods, its development is seriously hindered by poor charge separation and transfer efficiency. Herein, we design a Zn-NC (single Zn atoms embedded in nitrogen-doped carbon) bridged ZnO/CN Z-scheme heterojunction (ZnO/Zn-NC/CN) with robust interface contact by a multi-interfacial engineering strategy to achieve highly efficient separation and transfer of charge. Experimental and theoretical analyses demonstrate that the tightly integrated interface and excellent electrical conductivity of Zn-NC electron bridges ensure effective transfer of photogenerated charge carriers. Compared to ZnO/CN, the introduction of Zn-NC electron bridges induces charge rearrangement at the interface, generating a strong built-in electric field in the ZnO/Zn-NC/CN Z-scheme heterojunction to facilitate the separation and transfer of photogenerated charge carriers. Furthermore, Zn-NC electron bridges effectively promote the adsorption and activation of oxygen on the surface of ZnO/Zn-NC/CN, enhancing the generation of reactive oxygen species for rapid bacteria elimination in water. Consequently, the ZnO/Zn-NC/CN Z-scheme heterojunction, at a concentration of 100 ppm, achieves 99.9 % antibacterial efficiency against methicillin-resistant Staphylococcus aureus, Staphylococcus aureus, and Escherichia coli at a bacterial concentration of ∼ 10 CFU/mL under AM 1.5G simulated sunlight irradiation for 60 min, which is approximately 1.05 times higher than that of ZnO/CN. Moreover, ZnO/Zn-NC/CN maintains a 99.9 % bactericidal efficiency for natural water treatment using a homemade microreactor, demonstrating its potential for water disinfection.

The development of efficient catalysts to accelerate the three-phase reaction at the cathode side represents a crucial step in enhancing the performance of lithium-oxygen batteries (LOBs) with high energy density. In this study, NiFeO/CeO composites with an appropriate Ce concentration were prepared as cathode catalysts for LOBs, and the unique micro-flower structure maximally exposed the active sites of the materials. The catalyst cleverly integrates the excellent oxygen evolution reaction (OER) activity of NiFeO and the outstanding oxygen reduction reaction (ORR) activity of CeO. The high concentration of oxygen vacancies and the composite structure synergistically enhanced the charge transfer ability, altered the charge distribution of the active sites, and modulated the electronic structure of the material, thereby achieving an appropriate adsorption energy for oxygen-containing intermediates. Consequently, the composite material displays 343 stable cycles, a round-trip efficiency of 97.8 %, and a discharge specific capacity of 7478 mAh/g. Additionally, it exhibits fast charging and slow discharging capabilities for up to 726 h. This work offers insights into the design of efficient bifunctional cathode catalysts for LOBs.

Lung cancer remains one of the most fatal cancers worldwide, with a high incidence of metastasis and a low 5-year survival rate. Histone deacetylase inhibitors (HDACis) have shown significant potential in lung cancer treatment, but their clinical use is often hindered by poor water solubility, rapid clearance, and systemic toxicity. In this study, we developed a novel therapeutic strategy by camouflaging black phosphorus (BP) with M1 macrophage membranes (MB) and loaded HDACi suberoylanilide hydroxamic acid (SAHA) onto the camouflaged black phosphorus (MB) for targeted lung cancer therapy. The M1 membrane coating enhanced the specificity of the SAHA-loaded black phosphorus toward lung cancer cells. Black phosphorus not only served as a carrier for HDACis but also facilitated photothermal therapy (PTT) through its photothermal conversion capabilities, establishing a highly efficient therapeutic platform. MBS demonstrated strong antitumor activity with minimal systemic toxicity. This multifunctional platform, inspired by biological systems, shows great promise for delivering a wide range of HDACis and offers synergistic therapeutic potential through the combination of photothermal therapy and chemotherapy.

Lithium-sulfur batteries (LSBs), with their high theoretical energy density and specific capacity, are considered optimal candidates for next-generation energy storage systems. However, significant challenges remain in their cycle life and efficiency for practical applications, primarily due to the shuttle effect of lithium polysulfides (LiPSs) and the poor electrical conductivity of sulfur materials. The key to addressing these challenges lies in designing materials with excellent dispersion, good electrical conductivity, and high catalytic activity. In this work, we have designed and successfully synthesized a unique structural material consisting of in-situ grown cobalt sulfide nanoparticles embedded in zeolite imidazolate frameworks (ZIFs), which are derived from N-doped carbon wrapped around polypyrrole-derived N-doped carbon nanotubes (CoS@NC/NCNT). This design effectively mitigates the shuttle effect of lithium polysulfides (LiPSs) and enhances the conductivity of the material. As a result, batteries with CoS@NC/NCNT-modified separators achieved a high specific discharge capacity of 1518 mAh g at 0.1 C. This work provides a reliable design strategy for synthesizing N-doped carbon nanotube/high-activity transition metal sulfide composite materials and opens new avenues for enhancing the modification and separation of high-performance lithium-sulfur batteries (LSBs).

Photocatalytic colloids enable light-triggered nonequilibrium interactions and are emerging as key components for the self-assembly of colloidal molecules (CMs) out of equilibrium. However, the material choices have largely been limited to inorganic substances and the potential for reconfiguring structures through dynamic light control remains underexplored, despite light being a convenient handle for tuning nonequilibrium interactions. Here, we introduce photoresponsive N,O-containing covalent organic polymer (NOCOP) colloids, which display multi-wavelength triggered fluorescence and switchable diffusiophoretic interactions with the addition of triethanolamine. Our system can form various flexible structures, including AB-type molecules and linear chains. By varying the relative sizes of active to passive colloids, we significantly increase the structural diversity of AB-type molecules. Most importantly, we demonstrate in-situ transitions between different isomeric configurations and the reversible assembly of various structures, enabled by on-demand light ON and OFF control of diffusiophoretic interactions. Our work introduces a new photoresponsive colloidal system and a novel strategy for constructing and reconfiguring colloidal assemblies, with promising applications in microrobotics, optical devices, and smart materials.

The Li diffusion rate directly affects the cathode rate performance, and it is inefficient to precision design cathode materials with excellent rate performance using the Edison approach method. Here, a new paradigm for the precision design of ternary cathode materials is exploited. The data of Ni-Co-Mn ternary (NCM) cathode materials doped with Li sites and transition metal (TM) sites, respectively, were extracted from publications, and the model Gradient Boosted Regression (GBR), which can accurately reveal the relationship between physical characterization variables and Li diffusion rate, was trained. Subsequently, the inverse design of the synthetic experimental parameters was carried out based on the desired target Li diffusion rate with the GBR model and particle swarm optimization (PSO) algorithm. A global search of the crystal structure is then performed using the Universal Structure Predictor: Evolutionary Xtallography (USPEX) code based on the parameters of the reverse design. Finally, first-principle calculations are performed to verify Li diffusion rate of the searched structures. The theoretical calculations show that the Li diffusion rates of the designed materials Ce-NCM and Li/Ni@Ce-NCM are 8.66 × 10 cm/s, and 9.67 × 10 cm/s, respectively, which are better than the target values (1.23 × 10 cm/s). The density functional theory (DFT) calculations of charge transfer density indicate that moderate Li/Ni mixing induces a built-in electric field, which facilitates Li diffusion in the NCM cathode materials. This work demonstrates the potential of accurate inverse design of ternary cathode materials, advances the research process of ternary cathode materials, and provides a reference for the design of cathode materials and its counterparts. This work will open new avenues for designing cathode materials and counterparts, potentially revolutionizing traditional trial-and-error experiments.