Ti_3Al氧化行为的电子理论研究

根据固体与分子经验电子理论分析计算了氧作用下Ti3Al合金各相的价电子结构.结果表明,Ti3Al固溶氧使其键结构呈更严重的各向异性,导致Ti3Al脆性加剧;在氧含量较高时,氧化物TiO2的形成将导致更加恶劣的脆性,而形成最强键nA较大、热稳定性较高的Al2O3将会有好的抗氧化性.进而也提出了一些提高Ti3Al抗氧化性的合金化途径.     

Ti／TiO2-Pt修饰电极的制备及电催化性能研究

为了提高Ti／TiO2电极的催化性能，采用阳极氧化法在钛基体上制备出具有纳米管状的多孔Ti／TiO2薄膜，在此膜上采用阴极电化学沉积方法沉积Pt来制备Ti／TiO2-Pt修饰电极。用XRD，FESEM分析了沉积前后成分、晶相结构以及表面形貌的变化。结果表明：Pt优先沉积在Ti／TiO2管口以及管边缘处。用循环伏安曲线和极化曲线分析表明，沉积Pt的Ti／TiO2电极其电催化性能得到了明显改善。     

电泳共沉积NiCoCrAlY粘结层制备及抗高温氧化研究

目的 分析研究Ni基合金与粘结层之间的扩散和界面反应规律,以及其对热障涂层的抗高温氧化性能和工作寿命的影响.方法 采用电泳共沉积、真空致密化处理,在K17镍基高温合金表面制备NiCoCrAlY粘结涂层,并进行1000℃×100 h抗高温氧化实验,采用XRD、SEM、EDS分析NiCoCrAlY粘结涂层在高温氧化过程中合金元素的扩散规律.结果 高温氧化动力学曲线表明,氧化100 h制备的NiCoCrAlY粘结涂层的氧化速率为17.2134 mg/cm2,远低于K17镍基高温合金的.Ni由涂层向基体内扩散,Cr和Co向外扩散,Al向界面处扩散.电泳沉积制备的NiCoCrAlY粘结层经真空致密化处理后,涂层均匀、致密,粘结层主要由Ni3 Al、Al3 Y5 O12、Cr23 C6以及α-Al2 O3等组成.结论 NiCoCrAlY粘结涂层的抗高温氧化性高于K17镍基高温合金,在高温氧化过程中,α-Al2 O3氧化膜提高了NiCoCrAlY粘结涂层的高温抗氧化性.Ti主要来自基体的缺陷中,随着高温氧化作用,获得了由基体向外扩散所需要的能量,并且同时与氧反应生成TiO,TiO容易在粘结层表面形成泡状物质,Ti的扩散对粘结层的致密度与均匀度造成一定的影响.     

Effect of surface state properties of modified TiO2 powders on their photo—catalytic activity

With an attempt to investigate the effect of impurity and tungstem oxide on the recombination and separation of electron-hole pairs,and disclose the effect of surface state on the photo-catalytic activity of TiO2,an innovative photo-catalyst 3%WO3/0.5%Au^3 /AiO3 was prepared by means of sol-el method.The photo-oxidation efficiency of photo-catalyst was evaluated by conducting a set of experiments to photo-degraeds methylene blut(MB)in aqueous solution.The surface state properties were examined by means of surface photovoltage spectra(SPS)and electron-field-induced SPS(EFISPS).The experiments demonstrate that the strongest peak is attributed to electron excited from valence band to conduction band and the second strongest peak is attributed to electron excited from valence band to oxygen molecular for all samples,Electron is trapped by O2 absorbed on the surface of TiO2.And the surface state of O2^- forms.For(1%,3%)Au^3 /TiO2 sample,two new peaks that significantly present at 414nm and 400nm respectively should be attributable to gold impurity energy level.And for tungsten oxides doping samples,4 peaks that significantly present in the region of 500-800nm should be attributable to tungstem impurity energy level.The intensity of EFISPS decreases with increasing the content of gold ion or tungsten oxide when its content is no more than their optimal dosage.However,when the content of gold ion or tungsten oxide is more than their optimal dosage,impurity energy level becomes recombination center from separation center and the intensity of all peaks increases for them.     

低压沉积-微弧氧化制备钛金属HA-TiO2复合膜层

采用低压沉积-微弧氧化法,在钛金属表面直接制备了具有生物活性的HA-TiO2复合膜层,通过XRD和SEM分别分析了膜层的相结构和表面形貌,探讨了沉积参数对膜层中HA含量与表面形貌的影响.结果表明:低压沉积处理是微弧氧化法制备HA-TiO2复合膜层的必要条件;复合膜层主要由金红石型和锐钛矿型TiO2及HA组成,HA以白色...     

Structural features of compounds with tetrahedral structures or tetrahedral anion partial structures derived from two valence electron concentration rules

The total and the partial valence electron concentrations(VEC), two variables which can be easily calculated from the composition of the compound and the valence electron numbers of the participating atoms, serve as useful parameters to predict probable structural features of compounds with a tetrahedral structure or a tetrahedral anion partial structure such as an anionic tetrahedron complex. The structural features to be predicted are the average number of nonbonding orbitals, the number of atoms in molecular structures, the average number of anion-anion bonds per anion or the average number of electrons which remain with the cation to be used either for cation-cation bonds or nonbonding orbitals.     

Structural features of compounds with tetrahedral structures or tetrahedral anion partial structures derived from two valence electron concentration rules

The total and the partial valence electron concentrations(VEC), two variables which can be easily calculated from the composition of the compound and the valence electron numbers of the participating atoms, serve as useful parameters to predict probable structural features of compounds with a tetrahedral structure or a tetrahedral anion partial structure such as an anionic tetrahedron complex. The structural features to be predicted are the average number of nonbonding orbitals, the number of atoms in molecular structures, the average number of anion-anion bonds per anion or the average number of electrons which remain with the cation to be used either for cation-cation bonds or nonbonding orbitals.     

溅射TiAlCr涂层对Ti-24Al-14Nb-3V抗氧化性能的影响

研究了溅射Ｔｉ５０Ａｌ１０Ｃｒ及Ｔｉ５０Ａｌ２０Ｃｒ涂层对Ｔｉ２４Ａｌ１４Ｎｂ３Ｖ抗高温氧化性能的影响。结果表明,在８００℃下,Ｔｉ５０Ａｌ１０Ｃｒ及Ｔｉ５０Ａｌ２０Ｃｒ涂层表面由于可形成粘附性良好的Ａｌ２Ｏ３膜,大大改善了Ｔｉ２４Ａｌ１４Ｎｂ３Ｖ的抗高温氧化性能。９００℃时在Ｔｉ５０Ａｌ１０Ｃｒ涂层表面长出大量ＴｉＯ２,导致其氧化增重较大;而在Ｔｉ５０Ａｌ２０Ｃｒ涂层表面生成了连续Ａｌ２Ｏ３,其抗氧化性能良好。然而,由于ＴｉＡｌＣｒ涂层与基体热膨胀系数不同,在循环氧化过程中涂层出现一些裂纹,导致其抗循环氧化性能有所下降。     

Effect of carbon content on microstructure of in-situ Al_2O_(3p)-TiC_p/Al composites

1　ＩＮＴＲＯＤＵＣＴＩＯＮＸＤｔｅｃｈｎｉｑｕｅｉｓａｐａｔｅｎｔｏｆＭａｒｔｉｎＭａｒｉｅｔｔａＣｏｒ ｐｏｒａｔｉｏｎ[1] .Ｃｏｍｐｏｓｉｔｅｓｆａｂｒｉｃａｔｅｄｂｙｔｈｉｓｔｅｃｈｎｉｑｕｅｐｏｓｓｅｓｓｍａｎｙａｄｖａｎｔａｇｅｓ :1)Ｔｈｅｓｙｎｔｈｅｓｉｚｅｄｒｅｉｎ ｆｏｒｃｅ ｐａｒｔｉｃｌｅｓａｒｅｆｉｎｅｉｎｓｉｚｅａｎｄｅｑｕｉａｘｅｄｉｎｓｈａｐｅ[2 ,3 ] ;2 )Ｔｈｅｉｎｔｅｒｆａｃｉａｌｃｏｍｐａｔｉｂｉｌｉｔｙｂｅｔｗｅｅｎｉｎ ｓｉｔｕｒｅｉｎｆｏｒｃｅｐａｒｔｉｃｌｅｓ…     

金红石型TiO2(110)表面与Ag相互作用的第一性原理研究

采用第一性原理计算Ag与金红石型TiO2(110)晶面的相互作用。通过计算金红石型TiO2(110)面上2种键桥对Ag原子的吸附能，发现键桥Ti形式与Ag原子结合的吸附能低于键桥O形式的吸附能；通过进一步的电荷布居、单位键长以及电子结构的计算，发现键桥Ti形式的Ti-Ag之间的结合能大于键桥O形式的Ti-Ag之间的结合能，这说明Ag原子更容易与金红石型TiO2(110)面上的键桥Ti上的Ti原子发生反应生成相应的化合物。     

氯对TiAl基合金高温氧化行为的影响

研究了表面喷沙少量ＭｎＣｌ２及离子注入氯对ＴｉＡｌ基合金９５０℃恒温氧化行的影 响ＴｉＡｌ合金９５０℃氧化后氧化膜为ＴｉＯ２及Ａｌ２Ｏ３的混合物,表面涂少量ＭｎＣｌ２后, 合金氧化速度降低了４个数量级,氧化膜的成分主要为Ａｌ２Ｏ３,离子注入Ｃｌ在氧化初期也显著降低 了氧化速率,延迟了ＴｉＯ２形成时间。     

载铂二氧化钛纳米管电极的制备及电催化性能

用水热法在二氧化钛纳米管上负载纳米铂微粒,制备出大比表面积、高表面原子数的载铂二氧化钛纳米管电极。 SEM和XRD分析证明纳米管上已负载20~30 nm的铂微粒。循环伏安测试结果表明：不含染料的体系中,载铂二氧化钛纳米管电极在0.13 V处的氧化峰电流密度为Pt片电极的10倍;含染料的体系中,载铂二氧化钛纳米管电极上对酸性大红GR的氧化峰电流密度达到Pt片电极上的4.2倍。对酸性大红GR的降解实验表明,载铂二氧化钛纳米管电极催化活性高、降解快速高效     

掺Pb锐钛矿型TiO_2晶胞几何和电子结构的第一原理计算

采用第一原理方法,计算了Pb掺杂锐钛矿型TiO2的晶胞几何结构和电子结构,由于Pb的原子半径大于Ti,掺Pb后晶胞体积明显增大;水平方向和顶点方向的Pb-O键键长比相应的Ti-O键键长增长.由于Pb与O原子的sp轨道杂化作用,与Pb近邻的O原子p电子态出现尖锐的峰,并使处于第一价带的p电子态的带宽由4.6 ev增至7.3 ev;同时O的p轨道产生空态.掺杂后系统的导带底由Pb的p轨道构成.Pb掺杂使得锐钛矿型TiO2的能隙大幅度减小,因此,可以通过掺杂Pb实现对于锐钛矿型TiO2的能带调制,从而改变TiO2的光催化性能.计算结果与实验趋势相符.     

钛箔活性金属法连接氧化锆陶瓷和不锈钢时ZrO2／Ti结合界面的反应行为

用ＸＤ，ＥＰＭＡ，ＩＭＡ，ＸＰＳ，ＡＥＳ等测试手段，对觎太箔活性金属法连接氧化锆陶瓷和不锈钢时结合界面的反应行为进行了研究。结果表明：ＺｒＯ２中的Ｏ同界面附近的Ｔｉ发生反应生成ＴｉＯ反应相。同时，结合界面附近的ＺｒＯ２引起变质现象，其变质层中Ｏ的含量降低，部分Ｚｒ的化学结合状态从Ｚｒ＾４＋向Ｚｒ＾３＋变化。     

溶胶凝胶法制备TiO_2/HA复合生物活性涂层及其体外活性

通过溶胶凝胶法在纯钛基体上制备了羟基磷灰石(HA)/TiO2复合生物活性涂层。HA和TiO2溶胶由前驱体制得,按不同摩尔比直接混合两种溶胶来制备混合溶胶。HA可以提高钛基的生物活性,TiO2可以提高涂层与基体的物理、化学相容性和结合强度。粘结拉伸结果表明,复合涂层与基体结合良好,比纯HA涂层与基体的结合强度提高约47%。复合涂层试样于SBF中浸泡4、7和14d的SEM分析结果表明,复合涂层表面的类骨磷灰石生成量较高。成骨细胞实验结果表明,复合涂层上细胞铺展良好。     

TiO2/ITO膜的液相沉积法制备及其用于4-氨基安替比林降解的光电催化活性

利用液相沉积（LPD）法在ITO表面制备TiO2薄膜。光电流和交流阻抗（EIS）测试表明,这种TiO2/ITO液相沉积膜具有良好的光电性能,对紫外光产生灵敏、快速的电流响应,在此膜电极上通过施加一定的阳极偏压可有效分离光生电子-空穴对。将TiO2/ITO膜用于4-氨基安替比林的光电催化降解研究,与其他方法相比,利用此液相沉积膜电极的光电催化技术对于4-氨基安替比林的降解具有明显的协同效果,适合于该污染物的降解处理。当外加阳极偏压为＋0.8 V,支持电解质Na2SO4浓度为0.1 mol/L,溶液pH为2.0时,0.1 mmol/L 4-氨基安替比林120 min的光电催化降解效率最高可达95%。     

复相Al2O3/SiCw陶瓷与不锈钢钎焊接头的界面反应和反应产物

采用氩气保护下活性金属钎焊法对碳化硅晶须增韧氧化铝陶瓷（Al2O3/SiCw）与不锈钢（1Cr18Ni9Ti)进行了钎焊，所用钎料为Ag-Cu-Ti3活性钎料，通过X－射线衍射仪（XRD）对界面的反应产物进行了物相分析，并用能谱仪（EDAX）分析了界面元素组成，结果表明，钎焊接头界面的反应十分复杂，反应产物多种多样，主要有TiO,Ti2O,TiC,Fe2Ti4O,Ni3Ti,AlTi等物质，界面反应层按Al2O3 SiC/TiO AlTi TiC/TiO2 Fe2Ti4O/Ag-Cu的规律过渡。     

Effects of Nb and Si on high temperature oxidation of TiAl

The isothermal oxidation behavior of TiAl based alloys at 900℃ in air with a combination of Nb (5%-10%, mole fraction) and Si (1%-5%, mole fraction) was investigated. The microstructure and the composition of the oxidation scale were studied by using XRD, TEM and EPMA. The results show that the combination of Nb and Si can improve the oxidation resistance of the alloys significantly. The element Si can change the typical microstructure of oxidation scale on TiAl based alloys. In alloys with Si addition, the compact Al2O3 forms in the interior side of oxidation scale. When x (Si)3%, the Ti5Si3 phase forms and the coarse crystal TiO2 forms on Ti5Si3 phase after oxidation. The increase of Nb content in the TiAl based alloys impedes the growth of Ti5Si3 phase, and the formation of TiO2 on surface and on Ti5Si3 phase is also impeded.     

碳氮比对Ti(C,N)粉末抗氧化性的影响

本文对不同碳氮比Ti(C,N)固溶体粉末分别进行了等温氧化和非等温氧化,通过TG-DSC热分析、氧化动力学分析和物相分析,研究了碳氮原子比对Ti(C,N)粉末氧化行为的影响。Ti(C,N)粉末在O2气流中从室温加热至1 000~1 200℃的非等温氧化,以及在650℃的静置空气中的等温氧化。结果表明,Ti(C,N)粉末在非等温氧化过程中,氧化过程可分为2个阶段或3个阶段,第1氧化阶段氧化脱氮占主导地位,第2氧化阶段氧化脱碳占主导地位,Ti(C0.5,N0.5)粉末表现出最优的抗氧化性能。在650℃的等温氧化中,Ti(C,N)粉末氧化遵循随机形核动力学模型,Ti(C0.7,N0.3)具有最小的一阶速率常数,表现出最优的抗氧化性能。初始氧化固体产物为锐钛矿结构TiO2,随氧化时间延长,逐渐向金红石结构TiO2转变。     

Fabrication, annealing, and electrocatalytic properties of platinum nanoparticles supported on self-organized TiO2 nanotubes

The platinum nanoparticles supported on self-organized TiO2 nanotubes （Pt-TiO2/Ti） were prepared using electrochemical anodic oxidation followed by cathodic reduction. The structure and chemical nature of the Pt-TiO2/Ti electrocatalyst were investigated by X-ray diffraction （XRD） and scanning electron microscopy （SEM）. Both XRD and SEM results indicate the presence of platinum on nanotubular TiO2. The stability of the Pt deposits was also investigated in 0.5 mol/L H2SO4 solution by cyclic voltammetry. The electrocatalytic activity of the Pt-TiO2/Ti catalyst exhibits enhancement effect during electro-oxidation of methanol when annealed to anatase. Successive cyclic voltam- mograms of methanol oxidation on the Pt-TiO2/Ti electrocatalyst shows unique electrocatalytic characteristics when compared to methanol oxidation on the bulk Pt catalyst. This is because of further quick oxidation of adsorbed CO by Pt （111） facets of Pt particles on self-organized TiO2 nanotubes when the formation of an electroactive film onto the working catalyst surface occurs.