以提高GaN/ZnO异质结光解水制氢性能为目标，采用第一性原理方法研究了Li和Au元素掺杂GaN/ZnO异质结的电子结构、光学性质和光催化性能。电子结构计算表明GaN/ZnO异质结为直接带隙半导体，异质结类型为Z型，带隙为1.41 eV，能有效促进载流子分离。Li、Au掺杂后的各结构中除Li替位Zn结构外，均具有磁性。光学性质分析的结果表明，掺杂Li、Au元素可以提高体系的吸收系数，其中Li替位Zn后异质结具有较大的光吸收系数，同时具有较大的功函数(7.37 eV)和界面电势差(2.55 V)，表明其可见光利用率较高，界面结构稳定且具有较大的内建电场，可以更有效地促进电子与空穴的迁移从而减小电子-空穴对的结合。Bader电荷分析表明掺杂元素Li和Au均失去电子。电子从GaN层向ZnO层转移，在界面处形成了一个有效的内电场。Li替位Zn和Au同时替位近位的Ga和Zn所对应的2种结构的层与层之间转移的电子较多，说明其界面电势差较大且拥有较高的光生载流子迁移速率。光解水制氢性能分析表明，ZnO薄膜、GaN/ZnO异质结、Li替位Ga以及Li同时替位远位的Ga和Zn四种体系在pH=0时，满足光解水制氢的条件。GaN薄膜、ZnO薄膜和Li同时替位远位的Ga和Zn三种体系在pH=7时满足光解水制氢的条件。

本文围绕环境问题设计了一个综合化学实验。制备了C/Bi/Bi₂MoO₆复合材料，并对其施加直流电压进行电极化处理，通过扫描电镜和X射线粉末衍射等表征得出电极化法不影响材料的形貌和组成结构，并且能有效增强复合材料的光催化降解活性。本实验实现了化学、环境、能源与材料等多学科交叉融合，实验可操作性强且绿色环保。通过实验改进和仪器表征，激发学生的科研热情，培养创新思维和动手能力。

利用K⁺、Cl-共掺杂来优化纳米Li₂FeSiO₄/C正极材料的结构及电化学性能，通过固相反应制备了纳米Li_2-xK_xFeSiO_4-0.5xCl_x/C (x=0、0.01、0.02)正极材料。采用X射线衍射、扫描电子显微镜、透射电子显微镜、X射线光电子能谱和恒电流充放电等对比研究了3种正极材料的微观结构特征和电化学性能。研究表明纳米Li_1.99K_0.01FeSiO_3.995Cl_0.01/C正极材料的晶面间距和晶胞体积最大，颗粒粒径最小，平均粒径为32 nm。这些特定的微观结构使其表现出最优的电化学性能。纳米Li_1.99K_0.01FeSiO_3.995Cl_0.01/C在0.1C下的首次放电比容量高达203 mAh·g^-1，在1C下充放电循环100次的容量保持率为97.72%。

通过水热法制备出一系列Z型异质结Cu₂O/Bi₂MoO₆新型光催化剂。采用扫描电子显微镜、粉末X射线衍射、红外光谱、紫外可见吸收光谱等表征手段研究了催化剂的形貌、结构性质和光电化学性质，并以四环素(TC)为降解目标污染物，进一步探究了其催化效率。实验结果表明，Cu₂O的加入提高了复合催化剂的光催化性能，其中20% Cu₂O/Bi₂MoO₆复合催化剂(Cu₂O和Bi₂MoO₆的质量比为20%)降解效果最好，100 min内可降解95%的TC。Cu₂O与Bi₂MoO₆之间的协同作用使其可以吸收更多的可见光，所构建的Z型异质结改变了电子转移途径，提高了电子与空穴的分离效率，光催化活性显著提高。通过自由基捕获实验和能带结构，分析了Z型异质结Cu₂O/Bi₂MoO₆复合催化剂光催化降解TC可能的机理。

首先采用共沉淀方法制备富锂锰基正极材料Li_1.2Mn_0.54Ni_0.13Co_0.13O₂原始样品(P-LRMO)，然后通过简单的湿化学法以及低温煅烧方法对其进行不同含量Ga₂O₃原位包覆。透射电子显微镜(TEM)以及X射线光电子能谱(XPS)结果表明在P-LRMO表面成功合成了Ga₂O₃包覆层。电化学测试结果表明：含有3%Ga₂O₃的改性材料G3-LRMO具有最优的电化学性能，其在0.1C倍率(电流密度为25 mA·g^-1)下首圈充放电比容量可以达到270.1 mAh·g^-1，在5C倍率下容量仍能保持127.4 mAh·g^-1，优于未改性材料的90.7 mAh·g^-1，表现出优异的倍率性能。G3-LRMO在1C倍率下循环200圈后仍有190.7 mAh·g^-1的容量，容量保持率由未改性前的72.9%提升至85.6%，证明Ga₂O₃包覆改性能有效提升富锂锰基材料的循环稳定性。并且，G3-LRMO在1C倍率下循环100圈后，电荷转移阻抗(R_ct)为107.7 Ω，远低于未改性材料的251.5 Ω，表明Ga₂O₃包覆层能提高材料的电子传输速率。

Two alkali-metal sulfamates nonlinear optical (NLO) crystals, Li(NH₂SO₃) and Na(NH₂SO₃), have been obtained through the facile evaporation method. Li(NH₂SO₃) crystallizes in the polar space group Pca2₁ (No.29). The structure of Li(NH₂SO₃) can be described as a 3D network formed by [LiO₄]^7- polyhedral connecting with NH₂SO₃^- tetrahedra through corner-sharing. Na(NH₂SO₃) crystallizes in the polar space group P2₁2₁2₁ (No.19). The structure of Na(NH₂SO₃) can be described as a 3D network formed by distorted [NaO₆]^11- octahedral connecting with NH₂SO₃^- tetrahedra through corner-sharing. The UV-Vis-near-infrared spectra demonstrate that Li(NH₂SO₃) and Na(NH₂SO₃) possessed large optical band gaps of 5.25 and 4.81 eV, respectively. Powder second-harmonic generation (SHG) measurements demonstrate that the SHG intensity of Li(NH₂SO₃) and Na(NH₂SO₃) were 0.32 times and 0.31 times that of KH₂PO₄, respectively. First-principles calculations confirm the nonlinear optical performance mainly derived from the synergistic effect of amino sulfonate anions and alkali metal oxide anionic polyhedra.

采用原位溶剂热反应制备多级Ag/Bi/Nv-g-C₃N₄(氮空位-g-C₃N₄)/Ti₃C₂T_x肖特基结，并对其物相组成和晶体结构、微观形貌和孔结构、表面元素组成和化学态、光学和光电化学性质进行了表征。由于Ag、Bi和Ti₃C₂T_x协同的表面等离激元共振效应，Ag/Bi/Nv-g-C₃N₄/Ti₃C₂T_x表现出全光谱吸收特性。由载流子浓度差驱动的界面极化电荷转移诱导形成的肖特基结，显著提高了光生载流子(包括热电子和热空穴)的分离效率和利用率。因此，与Nv-g-C₃N₄、Ti₃C₂T_x、Ag/Nv-g-C₃N₄、Bi/Nv-g-C₃N₄和Ag/Bi/Nv-g-C₃N₄相比，Ag/Bi/Nv-g-C₃N₄/Ti₃C₂T_x表现出显著增强的全光谱催化活性，其在可见光和近红外光照射下光催化降解四环素的反应速率常数分别为0.033和0.008 6 min^-1，为对比样品的10~2.1倍和8.6~1.8倍。

A 1D coordination polymer (CP), (TBA) [Bi(bp4do)Br₄] (1), was synthesized by the assembly of 4, 4' - bipyridine -N, N'-dioxide (bp4do) and Bi³⁺ (TBA⁺=tetrabutylammonium). 1 exhibits a red luminescence with a quantum yield of up to 69%. A solid-state thin-film sensor (1/PVP) with extremely high luminescence stability was prepared by combining 1 with polyvinyl pyrrolidone (PVP). 1/PVP has a wide - range sensing capability for 11 NH₃/amine vapors with rapid response. During the sensing process, its luminescence color changed from red to blue, which was easy for naked -eye observation. The sensing mechanism is NH₃/amine-induced collapse of the framework of 1. Furthermore, 1/PVP has been successfully applied to monitoring food freshness such as meat/aquatic products.

人工半导体光催化CO₂转化被广泛认为是模拟自然碳循环的最有前途的策略之一。其中，Bi₂MoO₆具有光催化CO₂转化的潜力。然而，由于其光生电荷载体的快速复合，其催化性能仍然不足。因此，改善Bi₂MoO₆的催化效率是一个紧迫的问题。在这项研究中，我们通过水热法合成了Bi₂MoO₆纳米片，并在其表面同时生长了CeO₂纳米颗粒，形成了Ce³⁺/Ce⁴⁺离子桥接修饰的S型异质结。时间分辨光致发光光谱和光电化学测试揭示了这种异质结的增强电荷分离效应。此外，原位X射线光电子能谱分析和理论计算进一步证实，光生电子转移路径遵循S型机制，从氧化型半导体Bi₂MoO₆的导带转移到还原型半导体CeO₂的价带。实验结果表明，CeO₂/Bi₂MoO₆、Bi₂MoO₆和CeO₂的光催化CO₂还原为CO的效率分别为65.3、14.8和1.2 μmol·g^-1·h^-1。与纯Bi₂MoO₆相比，CeO₂/Bi₂MoO₆复合催化剂将CO₂光催化还原为CO的催化效率提高了3.12倍。这项工作为设计和构建新型S型异质结光催化剂提供了独特的见解。

The Z-scheme heterojunction Cu₂O/Bi₂CrO₆ photocatalyst was successfully prepared by introducing Cu₂O on the Bi₂CrO₆ surface using a coprecipitation method. The photocatalytic degradation of tetracycline (TC) on Cu₂O/Bi₂CrO₆ under visible light irradiation was investigated. It was found that the Cu₂O/Bi₂CrO₆ photocatalyst had the best photocatalytic activity when the mass ratio of Cu₂O to Bi₂CrO₆ was 20%, and the TC could be degraded by 87.5% within 100 min, which was about 1.8 times and 1.3 times higher than that of pure Bi₂CrO₆ and pure Cu₂O, respectively. Besides, the Cu₂O/Bi₂CrO₆ photocatalyst also showed good stability and reusability. The Z scheme heterojunction structure of Cu₂O/Bi₂CrO₆ provided increased active sites, enhanced interfacial charge separation, and improved separation efficiency of photogenerated electro-hole (e^--h⁺) pairs, leading to enhanced photocatalytic properties. Electron paramagnetic resonance (EPR) measurement confirmed that the superoxide radical (·O₂^-), hydroxyl radical (·OH), and h⁺ were the primary active species during photocatalysis.