SrFeO4的不稳定性研究

为了解SrFeO_4在干燥环境中的不稳定性,本文采用恒流放电、X-射线衍射(XRD)、红外吸收光谱(IR)等测试手段研究了SrFeO_4在放置不同时间后的放电性能和结构性质。恒流放电结果显示,SrFeO_4的放电性能随着其放置时间的延长而迅速降低;XRD、IR等结果显示SrFeO_4样品在干燥环境中放置时会分解生成无定形的低价态铁盐。     

K2FeO4扣式电池中电解液的含量对其放电性能的影响

为了解K2FeO4扣式电池的放电性能和电解液含量对其放电性能的影响,本文自制并采用恒流放电手段测试了含有不同含量饱和KOH电解液的K2FeO4扣式电池的放电性能.恒流放电结果显示,K2FeO4扣式电池中饱和KOH电解液的含量越多,其放电容量越高.     

几种Fe（Ⅵ）化合物的物理性质、电化学性能及稳定性研究

为深入认识高铁化合物的物理性质和电化学性能,采用化学法合成了K2FeO4、BaFeO4、SrFeO4和 K2Sr(FeO4)2等几种高铁化合物,比较研究了这几种高铁化合物的形貌、结构、在不同浓度KOH溶液中的溶解度 及其放电性能.研究结果显示,在这几种高铁化合物中,BaFeO4具有较好的电化学性能.但在实验过程中发现,除 K2FeO4外,其余几种高铁化合物均不稳定,在干燥环境中放置时会发生分解.采用量子化学从头算方法从理论上 分析了高铁化合物的稳定性变化规律.研究结果表明,高铁化合物的稳定性与阳离子对FeO42-的极化作用有很 大关系,极化作用越强,高铁化合物就越不稳定.     

钙钛矿型纳米BaFeO3的制备、结构表征及铁磁性研究

采用溶胶-凝胶法制备出钙钛矿型纳米BaFeO3粉末,利用X射线衍射(XRD)、扫描电子显微镜(SEM)和透射电子显微镜(TEM)分析研究了其微观结构及形貌,结果表明:胶体试样经800℃退火处理后,形成了20nm左右的钙钛矿型BaFeO3粉末,其(110)面晶面间距为0.280nm左右,(100)面晶面间距为0.401nm左右.利用振动样品磁强计(VSM)研究了纳米BaFeO3粉末的室温铁磁性能,测量结果表明:在室温条件下,纳米BaFeO3粉末具有完整闭合的磁滞回线,具有较小的矫顽力和较低的饱和磁化强度,呈现出明显的弱铁磁性,且铁磁性随退火温度的变化明显.钙钛矿型纳米BaFeO3的铁磁性主要归因于Fe3 _O_Fe4 之间的氧空位.     

氧化石墨制备温度对石墨烯结构及其锂离子电池性能的影响

采用改进的Hummers 法, 以石墨粉为原料制备氧化石墨, 然后使用微波还原法制备石墨烯, 最后以石墨烯作为负极材料组装锂离子电池. 系统的研究了高温氧化阶段中温度对氧化石墨的氧化程度、石墨烯的还原程度和比表面积以及锂离子电池性能的影响. 利用场发射扫描电镜(FESEM)、 X射线光电子能谱(XPS)、X射线衍射仪(XRD)、BET测量仪对氧化石墨和石墨烯的微观结构及比表面积等进行测试和表征. XRD, XPS及电化学测试的结果显示当高温阶段氧化温度为90 °C时, 氧化石墨的氧化程度最高, 相应的石墨烯也具有最高的还原程度和最大的比表面积423.2 m²/g, 同时石墨烯锂离子电池也具有更好的性能: 首次放电比容量为1555.5 mAh/g, 充电容量为1024.6 mAh/g, 其循环放电比容量达到600 mAh/g.     

吡嗪分子在硅(100)面吸附构型的XPS和NEXAFS谱理论研究（英文）

本文利用X射线谱研究了吡嗪(C_4H_4N_2)分子共价吸附于硅(100)面的几种吸附构型的几何结构和电子结构.利用密度泛函理论结合团簇模型,对预测的吸附结构的碳K壳层(1s)X射线光电子能谱(XPS)和近边X射线吸收精细结构(NEXAFS)谱进行了模拟.计算结果阐明了XPS和NEXAFS谱与不同吸附构型的对应关系.与XPS谱相比,NEXAFS谱对所研究的吡嗪/硅(100)体系的结构有明显的依赖性,可以很好地用于结构鉴定.根据碳原子的分类,研究了在NEXAFS光谱中不同化学环境下碳原子的光谱成分.     

工作压强对硅掺杂辉光放电聚合物结构和性能的影响

采用辉光放电聚合技术,在不同工作压强条件下制备了掺硅的辉光放电聚合物(Si-GDP)薄膜.并采用傅里叶变换红外吸收光谱和X射线光电子能谱(XPS)对Si-GDP薄膜进行了表征,分析了压强变化对其内部结构及成分的影响.利用紫外—可见光谱对Si-GDP薄膜的光学带隙进行了分析.结果表明:Si-GDP薄膜中Si元素主要以Si—C,Si—H,Si—O,Si—CH₃的键合形式存在;随着工作压强的增大,薄膜中Si—C键相对含量先减小后增加;从Si-GDP薄膜的XPS分析可以发现,C—C与C C含 关键词： 硅掺杂辉光放电聚合物薄膜 工作压强 傅里叶变换红外吸收光谱 X射线光电子能谱     

吡嗪分子在硅(100)面吸附构型的XPS和NEXAFS谱理论研究

本文利用X射线谱研究了吡嗪(C₄H₄N₂)分子共价吸附于硅(100)面的几种吸附构型的几何结构和电子结构. 利用密度泛函理论结合团簇模型，对预测的吸附结构的碳K壳层(1s)X射线光电子能谱(XPS)和近边X射线吸收精细结构(NEXAFS)谱进行了模拟. 计算结果阐明了XPS和NEXAFS谱与不同吸附构型的对应关系. 与XPS谱相比，NEXAFS谱对所研究的吡嗪/硅(100)体系的结构有明显的依赖性，可以很好地用于结构鉴定. 根据碳原子的分类，研究了在NEXAFS光谱中不同化学环境下碳原子的光谱成分.     

C2H4在Ru(10(1-)0)表面吸附与分解的研究

用X射线电子能谱(XPS)、热脱附谱(TDS)和紫外光电子能谱(UPS)方法研究了乙烯(C2H4)在Ru(10(1-)0)表面的吸附,在低温下(200K以下)乙稀(C2H4)可以在Ru(10(1-)0)表面上以分子状态稳定吸附,在200K以上乙烯(C2H4)则发生了脱氢分解反应.TDS结果表明乙烯(C2H4)分解后的主要产物为乙炔(C2H2).乙烯(C2H4)分解后C的1s能级向低结合能方向移动了0.3eV,而价态σCC和σCH轨道能级向高结合能方向分别移动了0.5和1.1eV.     

磁性光催化剂TiO2/Fe3O4的制备和表征

以Fe3O4为磁核,制备了易于分离的磁性光催化剂.采用X射线粉末衍射(XRD)、扫描电镜(SEM)、光电子能谱(XPS)、傅里叶红外光谱(FTIP)等手段表征催化剂的表面形貌、晶型组成、化学结构等.结果表明,TiO2包覆在Fe3O4表面,且包覆较为牢固.利用降解斯蒂酚酸考察其光催化性能,制得的催化剂具有较高的光催化活性和较好的可分离性.     

机械研磨影响高岭石结构的光谱研究

将高岭石矿物分别用干法和湿法连续研磨，通过不同研磨时间各粉样的傅立叶变换红外光谱（ＦＴＩＲ）及Ｘ射线衍射光谱（ＸＲＤ）的实测和比较，发现干法研磨１２ｈ高岭石的结构开始改变，经４２ｈ其层状结构完全破坏。但在湿法条件下即使研磨５４ｈ，高岭石的结构也无明显变化。由此可见，湿汉研磨比干法好。文中还初步探讨了研磨影响粘土结构的原因。     

CoOOH的含量对K2FeO4电极放电性能的影响

本文合成并分析了导电剂CoOOH的结构性质、形貌和电性能,着重研究了CoOOH的含量对K2FeO4电极放电性能的影响.研究结果表明,K2FeO4电极的放电性能随着CoOOH含量的增大而逐渐增强.     

Mössbauer Study of Hexavalent Iron Compounds

Hyperfine Interactions - Six crystalline ferrates(VI): K3Na(FeO4)2, K2FeO4, Rb2FeO4, Cs2FeO4, K2Sr(FeO4)2 and BaFeO4, were studied by Mössbauer spectroscopy. Room-temperature spectra of...     

Electrochemical Behavior of Vanadium Carbide in Neutral Aqueous Electrolytes

The V_2C compound,belonging to the group of two-dimensional transition metal carbonitrides,or MXenes,has demonstrated a promising electrochemical performance in capacitor applications in acidic electrolytes;however,there is evidence to suggest that V_2C is unstable in an acidic environment.On the other hand,the performance of V_2C in neutral aqueous electrolytes is still moderate,and has not yet been systematically studied.The charge storage mechanism in a V_2C electrode,employed in neutral aqueous electrolytes,is investigated via cyclic voltammetry testing and in situ x-ray diffraction(XRD).Good specific capacitances are achieved,specifically208 F/g in 0.5 M Li_2SO_4,225 F/g in 1 M MgSO_4,120 F/g in 1 M Na_2 SO_4,and 104 F/g in 0.5 M K_2SO_4.Using in situ XRD,we observe that,during the charge and discharge process,the c-lattice parameter shrinks or expands by up to 0.25 A in MgSO_4,and 0.29 A in Li_2SO_4 which demonstrates the intercalation/de-intercalation of cations into the d-V_2C layer.     

Hydrothermal synthesis and lithium-intercalation properties of MoO2 nano-particles with different morphologies

Different morphological MoO₂ nano-sized particles were synthesized by a low temperature hydrothermal reaction as a novel method. The physical characterizations were carried out by IR, TG/DTA, XRD, XPS, SEM, TEM and SAED. XRD and XPS data indicate the as-prepared samples present at pure phase MoO₂ with monocline symmetry. Spherical, sheet-like and bar-shaped nano-particles are observed by SEM, respectively. The lithium-intercalation properties of spherical MoO₂ powders were investigated by XRD, TEM and SAED in the light of bulk MoO₂. The results showed an irreversible phase transition after the initial discharge process, which is obviously different from the bulk sample.     

Effects of N2 and glow discharge on growth behaviours of carbon nanotubes prepared by the hot filament chemical vapour deposition method

Carbon nanotubes (CNTs) are prepared by the hot filament chemical vapour deposition method using CH4 and H2 as reaction gases, and the growth behaviours are investigated by scanning electron microscopy and transmission electron microscopy. The results indicate that the CNTs prepared in the absence of N2 or glow discharge are bent; however, they are in an aligned state after introducing N2 into the chamber or forming glow discharge under a negative biased voltage. The results also indicate that the CNTs are of a bamboo-like structure when N2 is intruded as a reaction gas and the alignment degree of the CNTs grown under glow discharge is higher than that grown in N2. This illustrates that the nitric environment and glow discharge play important roles in the growth of CNTs. Combining with the theory related to alloy thermodynamics and collisions, we have analysed the growth mechanism of the CNTs in nitric environment and glow discharge.     

红辉沸石合成A型分子筛的红外光谱研究

以天然红辉沸石合成了A型分子筛，通过XRD、IR光谱研究了其晶化过程。发现在1000-950cm^-1、750一600cm^-1、560cm^-1、460cm^-1处的红外吸收峰随结晶度有规律的变化，初步探讨其反应机理。     

Plasma synthesis and treatment of nanosized chalcopyrite particles

We synthesized chalcopyrite (CuFeS2) nanoparticles by methods involving laser ablation and electrical discharge in water. The nanoparticles obtained were exposed to an oxygen/argon plasma of a microwave discharge. The synthesized material was studied by photometry, x-ray diffraction (XRD), and energy dispersive x-ray elemental analysis (EDX), IR spectroscopy, and atomic force electron microscopy (AFM). We have established that the nanoparticles are morphologically stable relative to exposure to plasma fluxes of power ≤1 kW, and can be used as a model system to study processes of interaction between a plasma and minerals.