Electrooxidation of alcohol is an economically viable approach to upgrading biomass, and efficient catalysts are urgently required for this process. Layered hydroxide is a state-of-the-art electrocatalyst that drives the alcohol electrooxidation process with high activity and stability due to its stable layer-stacking structure, hydroxyl-abundant surface, highly dispersed metal sites, and rich tunability. Herein, this review comprehensively summarizes the basic principles in the electrooxidation of alcohol and the design strategies. Initially, the basic concepts and mechanisms of alcohol electrooxidation are highlighted, including direct/indirect oxidation mechanisms, the formation process of active site, the pathway of proton-electron pair transfer, and product distribution of different kinds of substrates. Subsequently, the design strategies of the electrocatalyst for alcohol electrooxidation are summarized based on the understanding of reaction mechanism, such as modulating the pathway of electrooxidation process, tuning the formation behavior of active species, and electrolyte/ion engineering. Finally, potential challenges and perspectives in further development are proposed to improve the high-quality development of alcohol oxidative upgrading pathway. This review aims to guide the design of novel hydroxide-based electrocatalysts for anodic alcohol oxidation and understanding of structure-performance relationship.

The misfolding and aggregation of the prion protein into amyloid fibrils is primarily driven and stabilized by hydrophobic interactions, rendering the aggregates highly resistant to disaggregation and posing a significant therapeutic challenge. To address this issue, we design two compounds by covalently grafting isomeric ortho-vanillin or vanillin onto a MnMo6 cluster. The resulting o-Va-MnMo6 exhibits markedly superior disassembly activity, reducing neurotoxic PrP106-126 aggregates by 85% versus 49% for Va-MnMo6. The enhanced efficacy arises from the ortho-methoxy group of o-Va-MnMo6, which engages hydrophobic Ala113 via van der Waals interactions, whilst its hydroxyl group forms a hydrogen bond with the M112-A113 backbone. Concurrently, the polyoxometalate moiety electrostatically interacts with Lys110. The multipoint binding enables the molecule to straddle the contiguous K110HMA113 domain, effectively disrupting the aggregation core. In contrast, Va-MnMo6 interacts primarily with His111 via hydrogen bonding, lacking critical hydrophobic contact. Molecular dynamics simulations confirm that both compounds initially anchor electrostatically to Lys110, after which their differing ligands guide them to distinct sites, resulting in the divergent potencies.

Magnesium hydride (MgH2) is broadly considered one of the most promising solid-state hydrogen storage materials for large-scale applications owing to its abundance, excellent reversibility, cost-effectiveness, and high theoretical hydrogen storage density (7.6 wt%). However, the application of MgH2 in solid-state hydrogen storage is considerably hindered by its strong thermodynamic stability (Delta H = 74.7 kJ mol(-1) H-2), sluggish kinetics, and inevitable particle agglomeration and grain growth during cycling. To address these challenges, numerous studies have focused on modifying the thermodynamic and kinetic properties of MgH2, yielding remarkable results. Two-dimensional (2D) materials, with their large surface areas, abundant surface ends, and excellent chemical and physical stability, serve as effective catalysts for hydrogen storage in MgH2 and as ideal nano-confined scaffolds. Based on the current research status of magnesium-based solid hydrogen storage materials worldwide, this paper summarises the progress made in utilising various 2D materials such as graphene, 2D metals and metal oxides, as well as MXenes, as catalysts or carriers to enhance the hydrogen absorption/desorption kinetics of MgH2. The influence mechanisms of these 2D materials on the hydrogen storage performance of MgH2 are elaborated. For example, as a high-efficiency catalyst, graphene functions as a buffer during the ball milling process, effectively preventing grain growth and particle agglomeration caused by excessive refinement of MgH2 particles. Moreover, it serves as a nucleation and growth centre for MgH2/Mg during hydrogenation/dehydrogenation, facilitating the diffusion of H atoms and thereby promoting the dehydrogenation/rehydrogenation of MgH2. In addition, graphene's large 2D surface allows it to form composites with transition metal-based catalysts, enabling synergistic enhancement of hydrogen absorption and desorption of Mg/MgH2. It can also anchor Mg/MgH2 to realise nanosizing and thermodynamic destabilisation of Mg/MgH2. The efficient catalytic activity of 2D transition metals and transition metal oxides for MgH2 hydrogen storage is generally attributed to the 'hydrogen pump' effect, which aids in the dissociation of H 2 and diffusion of H atoms, as well as the in-situ formation of transition metal monomers that provide high catalytic activity or a multivalent environment that accelerates electron transfer during the dehydrogenation/rehydrogenation of MgH2. Furthermore, density functional theory calculations reveal that transition metal-based catalysts interact with the H 1s electron orbitals of Mg through their unsaturated d electron orbitals, weakening the Mg-H bond, reducing the dissociation energy of hydrogen molecules on the Mg surface, and ultimately improving the hydrogen adsorption/desorption kinetics of Mg/MgH2. MXenes, which offer abundant metal active sites, are excellent catalysts for Mg/MgH2 hydrogen storage. They not only provide abundant catalytically active sites and hydrogen diffusion pathways but also effectively inhibit the growth and agglomeration of Mg/MgH2. Notably, the in-situ formation of metal-based active substances substantially contributes to the high catalytic activity of most MXenes. In addition, MXenes' large specific surface area with easy-to-modify surface groups makes them an ideal catalyst carrier/nano-confined Mg/MgH2 scaffold. Finally, this paper summarises the challenges associated with 2D layered catalysts for magnesium-based solid hydrogen storage, offering insights into the future design of high-performance magnesium-based composite hydrogen storage materials. More comprehensive investigations are necessary to adequately exploit the potential of 2D layered materials in catalysing Mg/MgH2-based hydrogen storage and to overcome the remaining challenges in the practical application of magnesium-based solid-state hydrogen storage.

Magnesium hydride (MgH2) is broadly‌ deemed as one of the most prospective solid-state hydrogen storage materials. However, its large-scale application is hindered by several drawbacks, including an excessive dehydrogenation temperature (>300 °C), sluggish kinetic behavior, and inevitable agglomeration and growth during cycling. To address these challenges, two-dimensional few-layered laminated‌ titanium carbide catalyst (FL-Ti3C2Tx) was synthesized via LiF/HCl etching followed by liquid-phase ultrasonic exfoliation. These FL-Ti3C2Tx nanosheets exhibit efficient catalytic activity for MgH2 hydrogen storage. The incorporation of 5 wt% FL-Ti3C2Tx significantly reduces the initial dehydrogenation temperature of MgH2 from 325 °C to 199 °C, while enabling the dehydrogenated sample to reabsorb hydrogen at room temperature. The MgH2 + 5 wt% FL-Ti3C2Tx composite demonstrates remarkable kinetic performance, releasing 6.5 wt% H2 within 8 min at 300 °C and uptaking 5.49 wt% H2 within 1 min at 100 °C. Even after 50 cycles of consecutive dehydrogenation and rehydrogenation, the composite retained a hydrogen storage capacity of 6.90 wt%, corresponding to a 95.30 % capacity retention rate. Microstructure analysis and theoretical calculations reveal that the unique lamellar morphology of FL-Ti3C2Tx not only provides abundant active sites and hydrogen diffusion paths, but also effectively suppresses the agglomeration and growth of Mg/MgH2 matrix during the hydrogen absorption and desorption. More importantly, the in-situ formed Ti/TiH2 functions as a "hydrogen pump" accelerating hydrogen diffusion, prolonging the MgH bond length, and weakening the interaction between Mg and H. These factors synergistically enhance the absorption/desorption kinetics of MgH2.

The deliberate and precise fabrication of supported catalysts with well-defined structures has been a long-standing pursuit. Among the large number of supports for anchoring noble metal species, layered double hydroxides (LDHs) stand out as a class of ideal supports for dispersing noble metal species due to their uniform distribution of metal sites and charge centers. However, a prerequisite for the investigation of noble metals-loaded LDHs is the construction of well-defined active sites and precisely controlled sizes of noble metal species on LDH surfaces. Based on research advances made over the past decade, we provide a detailed discussion on the fine regulation of noble metal species, including single atoms, nanoclusters, nanoparticles, and multi-site catalysts on LDHs. Furthermore, we focus on uncovering three critical aspects of noble metal-loaded LDHs: the precise location, the atomic configurations, and the interaction with the LDHs. Building upon these well-defined structures, we further clarify the structure-activity relationships of the developed materials in reactions such as hydrazine decomposition, biomass conversion, C-H bond activation, and water splitting, etc. Finally, the challenges and future directions are outlined to offer valuable insights for advancing high-activity noble metal-loaded LDHs.

MgO has demonstrated great potential as adsorbent for heavy metal removal. To elucidate the impact of different atomic arrangements on adsorption performance, the facet engineering strategy is employed to fabricate the MgO(100), MgO(110), and MgO(111). Among them, the as-prepared MgO(111) shows the highest adsorption capacities of 6586.9 mg/g for Pb(II) and 2989.3 mg/g for Cd(II), respectively, outperforming other Mg-based materials including Mg(OH)(2) reported so far. Despite similar adsorption capacities, the MgO(111) achieves over 99 % removal efficiency of 500 ppm Pb(II) in 30 min and Cd(II) in 1 h, whereas the MgO(100) and MgO(110) require more than 10 times longer to achieve similar removal efficiency. The MgO(111) can be further utilized for the co-adsorption of Pb(II) and Cd(II), achieving efficient removal of 500 ppm coexisting ions with the removal rate > 99 %. During the competitive adsorption of Pb(II) and Cd(II), it is found that the Pb(II) is preferentially removed firstly with the adsorption products of Pb-3(CO3)(2)(OH)(2). Density functional theory (DFT) analysis reveals such excellent performance of MgO(111) can be attributed to: 1) in contrast to Mg(100) and MgO(110), the strong electronic affinity of the oxygen-rich surface on MgO(111) with a favorable p-band center at -1.31 eV and the lowest adsorption energy of -2.71 eV for Pd(II) and -2.12 eV for Cd(II); 2) the optimal hydrolysis energy of -0.194 eV facilitates rapid generation of surface and free -OH groups on MgO(111), accelerating the adsorption process for Pd(II) and Cd(II). Electrospinning of MgO(111) into polyacrylonitrile (PAN) is used for the design of a continuous column water treatment technology, which can reduce Pb(II) and Cd(II) from 50 ppm to 0.1 ppm at a flow rate of 10 mL/min.

Herein, we report the successful fabrication of a series of transition metal doped Ni nanoparticles (NPs) coordinated with Ni single atoms in nitrogen-doped carbon nanotubes (denoted as Ni1+NPsM-NCNTs, M = Mn, Fe, Co, Cu and Zn; Ni-1 = Ni single atom). X-ray absorption fine structure reveals the coexistence of Ni single atoms with Ni-N-4 coordination and NiM NPs. When applied for electrocatalytic CO2RR, the Ni1+NPsM-NCNT compounds show the Faradaic efficiency of CO (FECO) with a volcano-like tendency of Mn < Fe approximate to Co < Zn < Cu, in which the Ni1+NPsCu-NCNT exhibits the highest FECO of 96.92%, a current density of 171.25 mA cm(-2) and a sustainable stability over 24 hours at a current density of 100 mA cm(-2), outperforming most reported examples in the literature. Detailed experiments and theoretical calculations reveal that for Ni1+NPsCu-NCNTs, the electron transfer from NiCu NPs to Ni single atoms strengthens the adsorption of *COOH intermediates. Moreover, the d-band center of Ni-N in Ni1+NPsCu-NCNT is upshifted, providing stronger binding with the reaction intermediates of *COOH, whereas the NiCu NPs increase the Gibbs free energy change of the Volmer step, suppressing the competitive HER.

At present,the undergraduate chemistry experimental teaching predominantly focuses on mononuclear complexes in the field of complex preparation experiments,often overlooking the significantly important polynuclear complexes within the complex family.Addressing this gap,we have designed a comprehensive chemical experiment involving a trinuclear iron(Ⅲ)complex,drawing from scientific research findings to enrich students'comprehension and application of complex chemistry.This design involved the preparation of an oxygen-bridged trinuclear iron(Ⅲ)complex,[Fe3O(CH3COO)6(H2O)3]NO3·4H2O,utilizing cost-effective and readily available iron(Ⅲ)nitrate nonahydrate and sodium acetate trihydrate as raw materials through water bath heating,cooling crystallization,and other steps.The iron content in the complex was determined by complexometric titration,and characterized by infrared spectroscopy,thermogravimetric analysis,powder X-ray diffraction,and electron paramagnetic resonance.The experimental is notable for its simplicity,efficiency,and eco-friendly approach.It incorporates ideological and political elements,and showcases the complex's novel and symmetrically aesthetic structure.During experimental teaching,students can also cultivate their appreciation of the intrinsic beauty of chemistry.The integration of science and education in this design helps to foster students'ability to analyze and solve problems,providing a feasible case for comprehensive chemistry experimental teaching for undergraduate students.

The traditional experimental teaching mode of inorganic chemistry presents certain drawbacks.Advances in information technology offer new opportunities for reinvigorating the experimental teaching mode.This study explores the reform and practice of flipped classroom teaching mode within the context of inorganic chemistry experimental,specifically focusing on the preparation of inorganic crystalline compounds,utilizing the crystal structures as the starting point to engage interest,and employing the star questionnaires as an effective evaluation method.The practical process includes three stages:pre-class preparation,in-class exploration,and post-class feedback and reflection.Our findings reveal that the flipped classroom teaching mode effectively stimulates students'interest in inorganic chemistry experiment,and enhances their learning initiative,innovative consciousness,logical reasoning and problem-solving ability.

高中到大学衔接阶段的教育问题一直是教育工作者的研究焦点。在“课程思政”教育模式被不断深化和推广的背景下，思政教育的衔接却很少受到关注。因此，针对学生在衔接阶段的知识背景、性格及心理变化等特点，结合化学学科教学，探讨课程思政目前在衔接阶段的发展现状、存在问题。提出通过区分不同时期侧重点，加强道德培育，创新内容改善形式等方法，改善衔接阶段化学教育的课程思政效果。

While great achievements have been made in the development of mechanically robust nanocomposite hydrogels, incorporating multiple interactions on the bases of two demensional inorganic cross-linkers to construct self-strengthening hydrogels has rarely been investigated. To this end, we propose here a new method for the coupling the dynamic covalent bonds and non-covalent interactions within a pseudo double-network system. The pseudo first network, formed through the Schiff Base reation between Tris-modified layered double hydroxides (Tris-LDHs) and oxidized dextran (ODex), is linked to the second network built upon non-covalent interactions between Tris-LDHs and poly(acrylamide-co-2-acrylamido-2-methyl-propanesulfonate) (p-(AM-co-AMPS). The swelling and mechanical properties of the resulting hydrogels have been investigated as a function of the ODex and AMPS contents. The as-prepared hydrogel can swell to 420 times of its original size and retain more than 99.9 wt.% of water. Mechanical tests show that the hydrogel can bear 90 % of compression and is able to be stretched to near 30 times of its original length. Cyclic tensile tests reveal that the hydrogels are capable of self-strengthening after mechanical training. The unique energy dissipation mechanism based on the dynamic covalent and non-covalent interactions is considered to be responsible for the outstanding swelling and mechanical performances.

C35H24CoN4O6, monoclinic, P21/n (no. 14), a = 11.444(2) Å, b = 11.648(2) Å, c = 21.478(4) Å, β = 97.05(3)°, V = 2841.5(10) Å3, Z = 4, Rgt(F) = 0.0849, wRref(F2) = 0.1393, T = 153(2) K.

Polyoxometalates (POMs) are widely used in catalysis, energy storage, biomedicine, and other research fields due to their unique acidity, photothermal, and redox features. However, the leaching and agglomeration problems of POMs greatly limit their practical applications. Confining POMs in a host material is an efficient tool to address the above-mentioned issues. POM@host materials have received extensive attention in recent years. They not only inherent characteristics of POMs and host, but also play a significant synergistic effect from each component. This review focuses on the recent advances in the development and applications of POM@host materials. Different types of host materials are elaborated in detail, including tubular, layered, and porous materials. Variations in the structures and properties of POMs and hosts before and after confinement are highlighted as well. In addition, an overview of applications for the representative POM@host materials in electrochemical, catalytic, and biological fields is provided. Finally, the challenges and future perspectives of POM@host composites are discussed.

To overcome the effect of greenhouse and the consumption of resource, the CO2 conversion technology offers an effective way, especially electrochemical CO2 reduction reaction (CO2RR). However, CO2RR still faces the challenge of low activity and controversial reaction mechanism. To solve these issues, a series of materials were fabricated. Single atom catalysts possess single active site, high activity and high atom utilization, which can serve as ideal models for studying reaction mechanism and understanding structure-activity relationship. In the review below, we summarize the latest development of single atom materials and their further-developed ones such as dual atom catalysts and single atom cooperating with nanoparticles materials for CO2 electroreduction. Further, the fine structure and the relationship between their structure and performance are reviewed. In addition, we discuss the advanced spectroscopic methods to characterize the structure of single atom-based materials and monitor the transformation during CO2 electroreduction. In the end, the current unresolved is-sues and further outlook for CO2 electroreduction are also discussed.

The NiCo alloy is one of the most promising alternatives to the noble-metal electrocatalysts for the hydrogen evolution reaction (HER); however, its performance is largely restricted by insufficient active sites and low surface area. Here, we fabricated a hierarchical hollow carbon cage supported NiCo alloy (denoted as HC NiCo/C) and a bulk NiCo alloy (denoted as NiCo) by reduction of a partially ZIF-67 etched ZIF-67@NiCo-LDH (LDH = layered double hydroxide) precursor and a fully ZIF-67 etched NiCo-LDH precursor, respectively. The as-prepared HC NiCo/C, in which the Ni29Co71 alloy nanocrystals with an average 6 nm size were encapsulated in graphitic carbon layers, provided a vastly increased electrochemically active surface area (ca. 13 times than the NiCo) and abundant catalytic active sites, which resulted in a higher HER performance with an overpotential of 99 mV than the 198 mV for NiCo at 10 mA cm-2. Detailed experimental results suggested that only the HC NiCo/C possessed the active alloy surface composed of unsaturated Ni0 and Co0 atoms, and both the metal-support interaction and alloying effect influenced the electronic structure of Co and Ni in HC NiCo/C, whereas the NiCo exhibited pure Ni surface. Theoretical calculations further revealed the Ni29Co71 alloy surface in HC NiCo/C possessed the appropriate adsorption energy of the intermediate state (adsorbed H*). This work provided new insight into the construction of the stable small-sized bimetallic alloy nanocatalysts by regulating the reduction precursors.

The green synthesis and characterization experiment of a Zn(II) complex is a comprehensive experiment that combines the basic knowledge and the scientific research frontier of the complex.In this paper, a threedimensional complex was prepared using p-aminobenzenesulfonic acid (4-ABS) and ZnO as the main materials.The complex is characterized by single-crystal X-ray diffraction, infrared spectroscopy, thermogravimetry, UV absorption and fluorescence spectra.The configuration of the complex is optimized by the CASTEP module of Materials Studio (MS) software, which further supports the optimal structure and stabilization energy of the complex.The experimental process includes the complex preparation, evaporation concentration, decompression filtration, single crystal culture, UV absorption and fluorescence spectroscopy, thermogravimetric analysis, theoretical calculation, etc.The whole process is comprehensive and operable.Meanwhile, the experiment integrates green synthesis into the whole experimental scheme, establishing the concept of energy conservation and environmental protection.Through this experiment, students could not only understand the principles of coordination chemistry, but also learn the frontier of scientific research.Therefore, it is helpful to train the students' scientific thinking, and enhance their ability of innovation.

Polyoxometalates (denoted as POMs) are discrete metal-oxide anions of V, Mo, W, etc., with variable structures and sub-nanometer sizes. Plenty of POMs and their derivatives have been reported due to their oxygen-enriched surface and abundant substitutional chemistry. However, few studies have focused on the modulation of the counter cations so far. Different from common cations, such as Na+, NH4+ and other organic ammonium ions (tetramethylammonium, tetrabutylammonium, etc.), cation clusters with larger size can also be used as counter ions of POMs. They are arranged alternately through ionic bonds or hydrogen bonds to form the solid ionic crystal materials with special properties, which are named POM-based porous ionic crystals (PPICs). The use of cation clusters with different compositions greatly enriches the structure and type of PPICs, which further boosts the development of polyoxometalates chemistry. The POMs anions and large metal complex cations in PPICs are regularly arranged into a porous honeycomb or layered structure. Some PPICs also contain monovalent cations such as H+ and alkali metal ions to balance their extra negative charges. The use of ion clusters facilitates the formation of pore structures in the PPICs lattice because they can reduce the electrostatic interaction between cations and anions. Thus, the pore structure of PPICs is much larger than that of POMs. Note that the pore size in PPICs can be easily adjusted by changing the shape, size and charges of cation and anions. Apart from the electrostatic interaction, anisotropic pi-pi stacking and hydrogen bonding network among the components of PPICs also contribute to their assembly. All these interaction modes will affect the arrangement of anions and cations in the PPICs lattice, resulting in the formation of different hole sizes and various channels characteristics in the crystal lattice, such as hydrophilic, hydrophobic and amphiphilic pores. In addition, the long-range Coulomb interaction works isotropically, leading to the easy transformation of the flexible PPICs structure. Hence, the adjustment of the channel provides a useful strategy for constructing PPICs with unique structures. Most importantly, PPICs show better performance than individual components because they inherit the advantages from both anions and cations. Briefly, PPICs not only retain good redox reversibility, rich multi-electron transfer characteristics and strong Bronsted acidity of POMs, but also reserve the magnetic properties of large cation clusters. Therefore, the physical and chemical properties of PPICs can be modulated by the rational design of each component. The future research on PPICs should not be limited to expanding the categories of cations, and the innovative structural type of POMs is also an important aspect. In addition to the Keggin POMs, other POMs structures, such as Dawson, Anderson, and Preyssler, can also be used in PPICs, resulting in some unique properties. Besides, various POM-based materials (modified POMs or POM-based composites, etc.) can also be adopted to fabricate PPICs, which may bring unexpected performance. Thus, changing anions and cations makes PPICs have great potential in many interdisciplinary fields such as chemistry, materials science, and biomedicine. This review systematically summarizes the structural characteristics and composition of PPICs, which is essential for understanding the characteristics of PPICs, such as adjustable pore structure, unique redox behavior, strong acidity and magnetic properties. In general, PPICs with different properties can be constructed by using diverse POMs and distinct cation clusters, which will be widely applied in many fields such as guest adsorption, ion exchange, photoelectric catalysis, bioimaging and medical materials.

化学类专业本科生在理论课学习中,对反应的热力学产物和动力学产物有了一定的理论认识,但目前鲜有实验能够使其直观体会2种产物在制备时的差异.本实验以氯化铜和邻氨基苯甲酰胺为原料,水和乙醇为溶剂,通过仅改变反应温度,分别在60℃水浴加热和冰水浴冷却条件下得到了红色的热力学产物二(μ-氯)·二[氯·(邻氨基苯甲酰胺)合铜(Ⅱ)](l)和黄绿色的动力学产物二氯·二(邻氨基苯甲酰胺)合铜(Ⅱ)(2),产率分别为80.4％和76.4％.采用络合滴定法和仪器分析方法对产物进行了表征测试,结果表明在不同温度下可制备2种不同组成、结构和性质的热力学和动力学产物,且在加热条件下,配合物2可以转化为配合物1.本设计为化学类相关专业本科生综合实验教学提供了一个成功案例,可加深学生对结构与性能的科学关联以及构效关系的认识和理解.

Three azide bridged complexes, namely, [Mn2L2(N-3)(4)(H2O)(2)] (1), [Co2L2(N-3)(4)]center dot(H2O)(3) (2) and [Ni2L2(N-3)(3)(H2O)]N-3 center dot(H2O)(4) (3) (L = 2-morpholine-4-yl-4,6-di-pyrazol-1-yl-1,3,5-triazine), were synthesized by the reaction of L ligand, sodium azide with Mn(II), Co(II) and Ni(II) chlorides. The copper(II) chloride combined with thiocyanate and L ligand to form a mononuclear complex [CuL(CH3OH)(SCN)(NCS)] (4). Complexes 1 similar to 4 were characterized by IR, elemental analysis and X-ray crystallographic analysis. It was worth noting that two Mn(II) atoms were connected by the end-to-end mode in 1, while Co(II) and Ni(II) atoms were connected by the end-on mode in 2 and 3. In complex 4, the central copper atom was coordinated with a sulfur atom and a nitrogen atom of the two thiocyanate ligands, respectively. Hydrogen bonds, pi-pi stacking interactions, thermogravimetric analysis and fluorescence properties of 1 similar to 4 were studied.

Deep desulfurization of fuels has long been and remains to be a highly challenging issue. In this work, a trilacunary polyoxometalate of Na-12[alpha-P2W15O56]center dot 24H(2)O (P2W15)was covalently tethered onto the gamma-Al2O3 sphere, to which different alkyl chains (C-n, n = 8, 12, or 18) were grafted, leading to the formation of the Al2O3-P2W15-C-n. When the Al2O3-P2W15-Cn were applied to catalyze oxidative desulfurization reaction of dibenzothiophene (DBT) in the presence of H2O2, it displayed high efficiency for removal of sulfur content in 9 min under optimized conditions at 60 degrees C. In addition, the Al2O3-P2W15-C-n exhibited excellent structural stability during the catalytic reaction and can be used to remove 4,6-dimethyldibenzothiophene (4,6-DMDBT) and benzothiophene (BT) from fuel oils. The excellent performance of Al2O3-P2W15-C-18 was verified by sulfur removal for an actual diesel sample. Molecular dynamics simulations indicated that DBT showed strong tendency to be adsorbed on active sites, while DBTO2 (dibenzothiophene sulfone) can be desorbed much easier. This work opens up a new avenue for further study on oxidative desulfurization catalytic materials and the influence of catalyst structure on mass transfer.