Reaction of the non-substituted/substituted unsymmetric pinene-derived complex [Pt(N^C^N′)Cl] with the aryl isocyanide 2,6-dimethylphenyl isocyanide (CNXyl) afforded a mixture of two isomeric species: the ionic complex [Pt(κ³-N^C^N′)(CNXyl)]Cl ([A]Cl) and the molecular complex [Pt(κ²-N^C^N′)(CNXyl)Cl] (B). Isomer B was almost the dominating product. The structures of the isomer B derivatives bearing —CF₃ and —Cl substituents on the pyridine ring of the pinene moiety (5B and 7B, respectively) have been confirmed by single-crystal X-ray diffraction, revealing a slightly distorted square planar geometry with trans-N_N^C^N′, CNR configuration (The terminal N atom of the κ²-N^C^N′ ligand is trans to the isocyanide ligand CNXyl.). Isomer B is thermodynamically more stable, as confirmed by theoretical calculations.

尽管异质结压电催化剂的设计被证明可以显著提升其催化活性，但异质结界面在压电过程中对表面势阱的调控机制及其对载流子迁移的影响仍缺乏系统研究。本研究通过自组装策略，在Bi₁₂O₁₇Cl₂@FeOOH体系中构建了非晶FeOOH与Bi₁₂O₁₇Cl₂之间的增强界面相互作用异质界面结。这种强界面相互作用显著增强了界面极性，可大幅抑制Bi₁₂O₁₇Cl₂表面电荷的应力响应能力(最大降幅达原始值的63%–98%)，这显著降低了压电过程中表面势阱的深度，从而有效削弱了压电电荷的束缚，同时促进了电荷转移。同时，界面形成的Bi–O–Fe化学键构建了电荷传输通道。这些协同机制使得压电自芬顿反应中H₂O₂产率达到3.04 mmol g⁻¹ h⁻¹，总有机碳去除率提高了3倍(从18.6%增至55.8%)。

通过一锅还原法成功制备了合金纳米团簇Au_11-xCu_x(dppf)₄Cl₂(x=1、2；dppf=1，1'-双(二苯基膦)二茂铁)。晶体结构解析表明，合金团簇具有与Au₁₁(dppf)₄Cl₂类似的几何结构，如含有缺陷二十面体金属内核，不同之处在于Cu原子取代了与Cl配位的Au原子。因此，Au_11-xCu_x(dppf)₄Cl₂可视为Cu对Au₁₁(dppf)₄Cl₂模板团簇的掺杂。Cu原子的引入并未改变模板团簇Au₁₁(dppf)₄Cl₂的框架结构，但有效调控了电子结构，进而使其光吸收发生红移。

The adsorption behaviors of intrinsic graphene-like GaN (g-GaN) and transition metal (TM) atom-doped g-GaN on Cl₂ and CO gas molecules were systematically investigated using first-principles calculations based on density functional theory. The results show that the adsorption of both Cl₂ and CO on the intrinsic g-GaN was physisorbed, and since the adsorption energies of both systems were positive, it indicates that the systems are unstable. On the contrary, the adsorption energies of Cl₂ and CO upon adsorption on Fe- and Co-doped g-GaN were negative and small, and the adsorption system is stable. By analyzing the properties of the density of states, charge density difference, and energy band structure, it can be concluded that the introduction of transition metal atoms can effectively enhance the interaction between gas molecules and g-GaN.

用基于第一性原理的密度泛函理论方法，对Cs₃Bi₂X₉(X=Cl、Br、I)的光电特性进行理论计算，并系统阐述这3种晶体的表面效应对光电性能的影响。结果表明，3种材料的光学特性由铋原子和卤素原子最外层p轨道上的价电子主导。在可见光区中，材料的吸收峰会随卤素原子序数的增加呈现红移，其中一维结构的Cs₃Bi₂Cl₉表面结构在光吸收能力上尤为特别且敏感；二维结构的Cs₃Bi₂Br₉光吸收能力会受厚度影响；零维结构的Cs₃Bi₂I₉非常稳定，且几乎不受表面特性和晶体厚度的影响。

在化学功能分子实验课程教学过程中，对项目研究型实验——手性Mn(III)Cl-Salen配合物的合成及其催化性能研究实验蕴含的思政元素进行挖掘和融合，建设思政案例库。同时结合小组研究、科学汇报等多环节实验教学，开展全过程专业课程思政，丰富教学育人内涵，实现化学功能分子实验课程知识传授、能力提升和思政育人的三重功能。

Chitosan (CTS) was grafted onto the surface of amino-functionalized silver chloride silicon dioxide (AgCl@SiO₂-NH₂) cores to obtain AgCl@SiO₂/CTS hybrid nanoparticles. The as-obtained AgCl@SiO₂/CTS nanoparticles were chlorinated by NaClO solution to get AgCl@SiO₂/CTS-based chloramine nano-hybrid materials, denoted as AgCl@SiO₂/CTS-Cl. A transmission electron microscope was used to observe the morphology of the as-prepared samples AgCl@SiO₂/CTS and AgCl@SiO₂/CTS-Cl. At the same time, an X-ray diffractometer and an infrared spectroscope were utilized to characterize their crystal and chemical structures. Besides, ζ potentials were measured to elucidate the surface modification of AgCl nanoparticles by —NH₂, the antibacterial mechanism of AgCl@SiO₂/CTS-Cl was investigated by scanning electron microscopy, and Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) were used as the to-be-tested strains to evaluate the antimicrobial activity of samples AgCl@SiO₂/CTS and AgCl@SiO₂/CTS-Cl. Findings demonstrate that sample AgCl@SiO₂/CTS exhibits a chain-like structure ascribed to the interaction between —NH₂, and each AgCl@SiO₂/CTS hybrid nanoparticle contains several AgCl cores. In the meantime, sample AgCl@SiO₂/CTS-Cl exhibits excellent antibacterial activity against E. coli and S. aureus, which is attributed to the synergistic antibacterial effect of Ag⁺ and Cl^-. Sample AgCl@SiO₂/CTS-Cl with a dosage of 640.00 μg·mL^-1 could completely kill the two kinds of tested bacteria in 12 h of incubation; it retains a high antibacterial efficiency even after 10 cycles of antibacterial tests.