在多年的实践过程中，针对本科化学实验教学面临的种种挑战，郑州大学化学实验教学中心多效并举，形成了一系列特色鲜明的教学管理方法，有效服务了高质量化学实验教学工作的开展。本文介绍了郑州大学化学实验教学中心建设中的一些举措和取得的成效，希望能为高校化学实验教学工作和管理服务提供有益的参考借鉴。

Herein, a one-pot chemical reduction method was reported to prepare folic acid (FA)-stabilized silver nanoclusters (FA@Ag NCs), in which FA, hydrazine hydrate, and silver nitrate were used as capping agent, reducing agent, and precursor, respectively. Several technologies were employed to investigate the structures and optical properties of FA@Ag NCs, including transmission electron microscopy (TEM), X ray photoelectron spectrometer (XPS), Fourier transform infrared spectrometer (FTIR), X-ray diffractometer (XRD), fluorescence spectrometer, and ultraviolet visible absorption spectrometer. FA@Ag NCs were suggested to be highly dispersed and spherical with a size of around 2.8 nm. Moreover, the maximum excitation and emission wavelengths of FA@Ag NCs were 370 and 447 nm, respectively. Under the optimal detection conditions, FA@Ag NCs could be used to effectively detect malachite green with the linear detection range of 0.5-200 μmol·L^-1. The detection limit was 0.084 μmol·L^-1. The fluorescence-quenching mechanism was ascribed to the static quenching. The detection system based on FA@Ag NCs was successfully used for the detection of malachite green in actual samples with good accuracy and reproducibility.

This paper delves into the theoretical mechanisms of the electronic structure and optical properties of aluminum-based semiconductors (AlX, X=N, P, As, Sb) and indium-based semiconductors (InX, X=N, P, As, Sb) as potential materials for optical devices. Band structure calculations reveal that, except for InSb, all other compounds are direct bandgap semiconductors, with AlN exhibiting a bandgap of 3.245 eV. The valence band maximum of these eight compounds primarily stems from the p-orbitals of Al/In and X. In contrast, the conduction band minimum is influenced by all orbitals, with a predominant contribution from the p-orbitals. The static dielectric constant increased with the expansion of the unit cell volume. Compared to AlX and InX with larger X atoms, AlN and InN showed broader absorption spectra in the near-ultraviolet region and higher photoelectric conductance. Regarding mechanical properties, AlN and InN displayed greater shear and bulk modulus than the other compounds. Moreover, among these eight crystal types, a higher modulus was associated with a lower light loss function value, indicating that AlN and InN have superior transmission efficiency and a wider spectral range in optoelectronic material applications.

采用巨正则蒙特卡洛模拟和密度泛函理论结合的方式探究了不同碱金属(alkali metal，AM，包括Li、Na、K)修饰提升萘炔(naphyne，NY)和萘二炔(naphdiyne，NDY)的CO₂吸附分离性能。通过结合能和结构的电子性质分析发现，AM修饰的NY和NDY具有良好的结构稳定性。在298 K、100 kPa的条件下，Li修饰的萘二炔(Li-NDY)表现出高达11.37 mmol·g^-1的CO₂吸附量和430.85的CO₂选择性(优于N₂)。同时，利用气体吸附密度分布揭示了不同AM修饰的NY/NDY (AM-NY、AM-NDY)具有高吸附量的原因，以及二者作用效果差异的本质。最后，从吸附热、库仑和范德瓦耳斯相互作用等角度详细说明了AM引入的改性机制。

通过引入—OH、—NH₂和—SO₃H极性官能团，设计了具有高比表面积、亚胺键连接的二维三聚茚酮基共价有机骨架(truxenone-based covalent organic frameworks，TRO-COFs)，并通过巨正则蒙特卡洛(giant canonical Monte Carlo，GCMC)模拟和密度泛函理论(density functional theory，DFT)探究了298 K和0~1.0×10⁵ Pa条件下极性官能团对TRO-COFs的CO₂捕获性能的影响。结合能和内聚能的分析表明官能团引入后结构仍保持较高的稳定性。极性官能团的引入显著增强了TRO-COFs的CO₂吸附性能。CO₂吸附量大小顺序为TRO-COF-SO₃H>TRO-COF-NH₂>TRO-COF-OH>TRO-COF-H。在298 K和1.0×10⁵ Pa条件下，TRO-COF-SO₃H表现出8.02 mmol·g^-1的CO₂吸附量及CO₂优于N₂和CH₄的选择性(37和26)。同时，通过径向分布函数和气体吸附密度分布也进一步说明了不同极性官能团对CO₂捕获与分离性能影响的差异。最后，从吸附热、范德瓦耳斯力和库仑相互作用等多个角度详细阐明了极性官能团的作用机制。