镍锰共掺杂TiO2的制备及其光催化性能研究

采用溶胶-凝胶的方法,镍、锰离子在钛酸丁酯[Ti(OBu)4]水解的条件下掺杂到TiO2中,合成了不同摩尔比的镍、锰离子共掺杂的TiO2光催化剂.通过光催化降解甲基橙实验,对所制备光催化剂的光催化活性进行了考察.结果表明掺杂后的TiO2光催化剂在可见光下对甲基橙能有效地降解,表现出了较好的光催化活性,当镍、锰离子掺杂量...     

Mn-N共掺杂TiO2电子结构和光学性质的第一性原理计算

本文采用第一性原理研究了Mn、N掺杂TiO2和Mn-N共掺杂TiO2的能带结构、态密度和Mn-N共掺TiO2对体系介电函数与吸收谱的影响.研究结果表明,Mn掺杂TiO2的能带结构的禁带内出现的杂质能级是由Mn 的3d轨道贡献;N掺杂TiO2在费米能级处的杂质能级则由O 2p, Ti 3d和N 2p轨道杂化形成; Mn-N共掺的TiO2能带在费米能级处的杂质能级则由O 2p, Ti 和Mn的3d以及N 2p轨道杂化形成; 对于介电函数,在低能区间(<2.5 eV),理想TiO2无介电峰, Mn-N共掺体系则出现了两个介电峰,原因在于Mn 3d态和N 2p态使介电峰值向低能区移动;同时,与理想TiO2的吸收谱相比,最大的变化是在可见光区出现了一个吸收峰,且在可见光区的响应的范围变宽.     

氮自掺杂Ta_2O_5微球制备及其光催化性能研究

我们采用水热法合成了具有可见光吸收的非金属自掺杂N-Ta_2O_5多孔微球光催化剂.并通过X射线粉末衍射仪(XRD)、X射线光电子能谱(XPS)、扫描电子显微镜(SEM)、透射电子显微镜(TEM)、紫外可见分光光度计(UV-vis)等多种表征手段对自掺杂N-Ta_2O_5的晶体结构、形貌、组分等进行了测试分析.XRD结果表明,Ta N可以在HF溶液中完全氧化为Ta_2O_5,N掺杂可以通过N与O原子的轨道杂化使Ta_2O_5的带隙从4.0 eV降低为2.2 eV,从而增强其可见光吸收.高催化活性的N-Ta_2O_5可通过调控其结晶度来实现.     

铁氮共掺杂纳米TiO_2复合膜的制备、光谱分析及光催化活性研究

用溶胶-凝胶法制备铁、氮共掺杂纳米TiO2凝胶,浸渍-提拉法将其镀膜于载玻片表面,经干燥、煅烧,制得Fe-TiO2-xNr复合膜;用XRD,SEM,XPS及UV-Vis对镀膜样品进行了表征.XRD分析表明,Fe-TiO2-xNr膜为锐钛矿结构,少数氮原子替代了TiO2晶格中的氧;SEM照片说明,构成膜的粒子分散均匀,形貌一致,粒径约19 nm:UV-Vis漫反射光谱显示,Fe3+掺杂可使复合膜对可见光的响应红移至740nm处;XPS图谱证明,铁、氮的掺入降低了Ti(2p3/2)电子结合能,从而拓宽了TiO2在可见光区的吸收范围.以光催化降解苏丹红I为模型反应,比较了不同掺杂样品的光催化活性,结果表明,当掺杂的Fe3+相对于Ti4-1的原子比达到0.4%时,复合膜表现出最佳催化性能,4 h后对苏丹红I的降解率达到97%.方法制备的氮和适量铁共掺杂Fe-TiO2-xNr复合膜能协同提高TiO2对可见光的响应能力及光催化活性,在污水处理领域具有潜在的应用价值.     

Co,N共掺杂锐钛矿相TiO2电子结构和光学性质的第一性原理研究

二氧化钛(TiO2)作为一种性能优良的光催化剂已经被广泛地研究和使用. 本研究中利用了第一性原理和GGA+U方法, 对锐钛矿结构TiO2晶体三种可能的(Co,N)共掺杂体系的几何结构、形成能、电子结构和光吸收系数进行了研究, 并与单掺杂(Co/N)体系进行了对比. 结果表明, 在三种共掺杂TiO2中, Co与N相邻时晶格畸变最小, 但掺杂原子周围晶格畸变较大;同时, 较低的形成能表明此种共掺杂结构最容易形成;此外, 因为Co与N成键, 其杂质能级的数目与能量较其他共掺杂结构有较大差异. (Co,N)共掺杂体系与未掺杂TiO2的相比, 其禁带宽度较小, 禁带中存在杂质能级, 因此其吸收边红移, 在可见光波段有较好的光吸收能力. 故(Co,N)共掺杂可以很好地提升锐钛矿型TiO2在可见光波段的光催化性能.     

钴前驱体对掺杂TiO2微结构和可见光催化性能的影响

为发展可见光下破坏污染物的钴掺杂TiO2光催化剂,以CoCl2、Co(NO3)2和CoSO4为钴前驱体,采用溶胶-凝胶法制备了钴掺杂TiO2,通过X射线衍射、扫描电镜、BET表面积测试和紫外-可见吸收光谱对比研究了钴前驱体对样品的微观结构和吸光性能的影响．同时,以苯胺为降解目标物,比较了样品在可见光下的催化活性．结果表明,样品的TiO2晶相、形貌、比表面积和吸光性能都随着钴前驱体的不同而不同,其中以Co(NO3)2为前驱体制备得到的样品其光催化活性最高,特别是1％掺杂且400℃烧结得到的样品,并简要讨论了其可能原因．     

S掺杂对锐钛矿相TiO2电子结构与光催化性能的影响

采用基于第一性原理的平面波超软赝势方法研究了掺杂不同价态S的锐钛矿相TiO2的晶体结构、杂质形成能、电子结构及光学性质.计算结果表明硫在掺杂体系中的存在形态与实验中的制备条件有关;掺杂后晶格发生畸变、原子间的键长及原子的电荷量也发生了变化,导致晶体中的八面体偶极矩增大;S 3p态与O 2p态、Ti 3d态杂化而使导带位置下移、价带位置上移及价带宽化,从而导致TiO2的禁带宽度变窄、光吸收曲线红移到可见光区.这些结果很好地解释了S掺杂锐钛矿相TiO2在可见光下具有优良的光催化性能的内在原因.根据计算结果分析比较了硫以不同离子价态掺杂对锐钛矿相TiO2电子结构和光催化性能影响的差别.     

La,V共掺杂的Bi_4Ti_3O_(12)铁电薄膜的溶胶-凝胶法制备及性能测试

采用溶胶-凝胶(sol-gel)工艺在Pt/TiO2/SiO2/p-Si(100)衬底上制备出Bi4Ti3O12(BIT)和Bi3.25La0.75Ti2.97V0.03O12(BLTV)铁电薄膜,研究了La,V共掺杂对BIT薄膜的晶体结构和电学性能的影响.BIT薄膜为c轴择优取向,BLTV薄膜为随机取向,拉曼光谱分析表明V掺杂降低了TiO6(或VO6)八面体的对称性,也增强了Ti—O键(或V—O键)杂化.BLTV薄膜的剩余极化Pr为25.4μC/cm2,远大于BIT薄膜的9.2μC/cm2,表现出良好的铁电性能.疲劳、漏电流测试显示BLTV薄膜具有优良的抗疲劳特性和漏电流特性,表明La,V共掺杂能有效地降低薄膜中的氧空位.     

Ag负载WO3/TiO2光催化剂的合成及其催化性能

以钛酸丁酯、无水乙醇、钨酸铵为原料,采用溶胶-凝胶法合成了WO3/TiO2复合光催化剂;采用光还原技术制备了Ag负载WO3/TiO2光催化剂,借助X射线粉末衍射(XRD)和UV-Vis光谱等技术对样品的组成和光吸收性能进行了表征,并以罗丹明B为模型污染物考察样品的光催化活性。XRD分析表明,所得粉体均为锐钛矿型纳米TiO2,且与WO3复合后,纳米TiO2特征衍射峰宽化,强度降低;UV-Vis光谱分析表明,载银使得催化剂在400—700nm的可见光区域对光响应,且在紫外光区吸收显著增强,对光具有更高的利用率;以罗丹明B为降解物的光催化实验表明,WO3复合对纳米TiO2光催化活性有显著的影响,而载Ag后其光催化活性进一步提高,将该光催化剂用于炼油厂废水的处理,效果较好。     

N、C共掺杂锐钛矿相TiO2电子结构和光学性质的第一性原理研究

采用基于密度泛函理论的平面波超软赝势方法,研究了N和C原子分别单掺杂和双掺杂锐钛矿TiO2的形成能、晶体结构、电子结构和光学性质。计算结果表明：原子替位掺杂后体系晶格发生畸变;C替位掺杂更倾向于替代Ti位,而非O位;替位掺杂使TiO2光吸收带边发生了明显红移,且在可见光区域的吸收效率明显增加,大大提高了光催化效率。与单掺杂比较发现,N、C双掺杂红移现象更加明显,为较好的掺杂改性方式。     

Synthesis of samarium- and nitrogen-co-doped TiO2 by modified hydrothermal method and its photocatalytic performance for the degradation of 4-chlorophenol

Sm- and nitrogen-co-doped TiO₂ (Sm-N-TiO₂) catalysts were prepared via the modified hydrothermal method using tetrabutyl titanate as the precursor and calcination at 200 °C. The microstructure of the sample was characterized by X-ray diffraction (XRD), ultraviolet-visible diffuse reflection spectroscopy (UV-vis-DRS), Fourier transform infrared (FTIR) spectra and X-ray photoelectron spectroscopy (XPS). The average particle size was ca. 16.0 nm as calculated from XRD patterns. Sm-N-TiO₂ nanocrystalline showed strong visible-light response and high photocatalytic activity for 4-chlorophenol degradation under irradiation by visible-light (400-500 nm). The high visible-light photocatalytic activity of the obtained Sm-N-TiO₂ might result from the incorporation of nitrogen atoms in TiO₂, which extended the spectral response to the visible region, and Sm₂O₃ facilitated the excited electron transfer and hence suppressed efficiently the recombination of photoproduced electron-hole.     

Microwave-assisted synthesis of nanoparticulate perovskite LaFeO3 as a high active visible-light photocatalyst

Single phase perovskite LaFeO₃ nanoparticles are directly synthesized by a one-step microwave-assisted route without additional high temperature calcination process. The prepared sample is characterized by X-ray diffraction (XRD), field emission scanning microscope (FE-SEM), Brunauer–Emmett–Teller (BET) specific surface area measurement, diffuse reflectance spectroscopy (DRS) and Fourier transform infrared spectroscopy (FTIR). XRD and SEM show that the prepared LaFeO₃ is single phase perovskite and sphere-like shape. The DRS result shows that the prepared LaFeO₃ has strong visible-light absorption and an optical absorption onset of 525 nm, corresponding to an optical band gap of 2.36 eV. The photocatalytic experiment demonstrates that LaFeO₃ is highly visible-light photocatalytic active for the degradation of methylene blue. It is suggested that the narrow band gap and the strong visible-light absorption are responsible for the high visible-light photocatalytic activity of the prepared LaFeO₃.     

Dose–dependent biodistribution of prenatal exposure to rutile-type titanium dioxide nanoparticles on mouse testis

Au@TiO₂/graphene (Gr) composite with visible-light response was fabricated. The prepared samples were characterized by X-ray diffraction, X-ray photoelectron spectroscopy, transmission electron microscope, and diffuse reflection spectroscopy, respectively. The results indicated that metallic Au nanoparticles with round shape and about 10 nm in size were loaded on TiO₂ particles uniformly, and Au@TiO₂ was grafted on Gr shaped in thin and big sheets. Photocatalytic degradation of 2,4-dichlorophenol (2,4-DCP) was conducted under the visible-light irradiation (>420 nm) in order to evaluate the activity of photocatalysts. The light absorption spectrum of TiO₂ was extended to visible-light region by loading Au nanoparticles with plasmonic effect and 2,4-DCP could be degraded with Au@TiO₂ and Au@TiO₂/Gr by photocatalysis under visible light. Compared to that with Au@TiO₂, the elimination rate of 2,4-DCP was increased with Au@TiO₂/Gr. This enhanced photocatalytic performance was attributed to the concentration effect due to the improved adsorption performance introduced by Gr.     

Enhanced adsorption and visible-light-induced photocatalytic activity of hydroxyapatite modified Ag-TiO2 powders

In order to get a kind of materials with enhanced adsorption and photocatalytic performance, hydroxyapatite modified Ag-TiO₂ powders (Ag-TiO₂-HAP) were prepared by a facile wet chemical strategy. The powders were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), UV-vis absorption spectroscopy, N₂ adsorption-desorption measurement (BET), photoluminescence spectroscopy (PL), etc. The photocatalytic activities were evaluated by photocatalytic oxidation decomposition of acetone in air under visible-light illumination. The results showed that the coupled system indicated a highest photocatalytic activity and photochemical stability under visible-light irradiation than all the other catalysts. The intensively improved visible-light-induced photocatalytic activity of the Ag-TiO₂-HAP hybrids could be attributed to its strong absorption in the visible-light region, low recombination rate of the electron-hole pair and large BET specific surface area.     

C自掺杂TiO2纳米棒的制备与光催化性能研究

本文以TiC为前驱体和掺杂源,采用一步水热法合成了具有可见光吸收的C自掺杂金红石相TiO2纳米棒．样品的结构、形貌、化学态和光学性质等可通过X射线衍射仪（XRD）、扫描电子显微镜（SEM）、傅里叶变换红外光谱仪（FT-IR）、X射线光电子能谱仪（XPS）以及紫外可见分光光度计（UV-vis）来表征．所合成的样品具有较强的光催化活性,可通过在可见光照射下降解有机染料罗丹明B（RhB）来验证．C自掺杂TiO2所呈现的较强光催化活性是由于其具有小的能带间隙（2.74 eV）、大的比表面积和高的电子-空穴对分离率．     

C自掺杂TiO2纳米棒的制备与光催化性能研究

本文以TiC为前驱体和掺杂源,采用一步水热法合成了具有可见光吸收的C自掺杂金红石相TiO_2纳米棒.样品的结构、形貌、化学态和光学性质等可通过X射线衍射仪(XRD)、扫描电子显微镜(SEM)、傅里叶变换红外光谱仪(FT-IR)、X射线光电子能谱仪(XPS)以及紫外可见分光光度计(UV-vis)来表征.所合成的样品具有较强的光催化活性,可通过在可见光照射下降解有机染料罗丹明B(RhB)来验证.C自掺杂TiO_2所呈现的较强光催化活性是由于其具有小的能带间隙(2.74 eV)、大的比表面积和高的电子-空穴对分离率.     

C自掺杂TiO2纳米棒的制备与光催化性能研究

本文以TiC为前驱体和掺杂源,采用一步水热法合成了具有可见光吸收的C自掺杂金红石相TiO2纳米棒．样品的结构、形貌、化学态和光学性质等可通过X射线衍射仪（XRD）、扫描电子显微镜（SEM）、傅里叶变换红外光谱仪（FT-IR）、X射线光电子能谱仪（XPS）以及紫外可见分光光度计（UV-vis）来表征．所合成的样品具有较强的光催化活性,可通过在可见光照射下降解有机染料罗丹明B（RhB）来验证．C自掺杂TiO2所呈现的较强光催化活性是由于其具有小的能带间隙（2.74 eV）、大的比表面积和高的电子-空穴对分离率．     

One-step hydrothermal synthesis of nitrogen and tungsten codoped TiO2 nanorods with high visible light photocatalytic activity

N,W codoped TiO 2 $\mathrm{TiO}_{2}$ nanorods were synthesized via a one-step hydrothermal method using ammonium metatungstate as the nitrogen and tungstate sources. The prepared samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), UV–visible diffuse reflectance spectroscopy (DRS), and X-ray photoelectron spectroscopy (XPS). The results indicated that the N,W codoped TiO 2 $\mathrm{TiO}_{2}$ nanorods exhibited a higher photocatalytic activity under visible light irradiation compared with P25 and undoped TiO 2 $\mathrm{TiO}_{2}$ , because the codoping of N and W ions not only extended the visible light absorption but also promoted the separation of the photogenerated electrons and holes.