掺杂SnO2气敏特性的量子化学研究

本文用ＣＮＤＯ／２方法讨论了经Ｓｂ，Ｐｄ，Ａｇ掺杂杂后的ＳｎＯ２对ＣＯ，Ｈ２，ＣＨ４的可能吸附方式，并讨论了ＳｎＯ２的表面吸附以及掺杂剂对气敏电子输运过程的作用，表明Ｓｂ，Ｐｄ，Ａｇ的作用在于提供或接收载流子，并以５Ｓ，５ｐ轨道为主要的输运通道。     

掺稀土元素SnO2薄膜的气敏光谱

本文研究了掺入稀土元素La、Gd、Dy的SnO_2薄膜的气敏光学特性。测量了各种掺杂膜在乙醇、氨及丙酮气氛下的透射光谱。还从物质电子云分布的角度对其机理进行了讨论。     

SnO2：TiO2混合物薄膜在丙酮蒸气中的气敏光谱

本文研究了ＳｎＯ２：ＴｉＯ２混合物薄膜在丙酮蒸气中的气敏光谱，并给予理论解释。利用在低浓度时，透射峰随气体浓度增加而蓝移，可制成对低浓度丙酮气体敏感的光纤传感器。     

光纤传感材料SnO2的气敏光反射特性研究

作者研究了二氧化锡的气敏光反射特性,测量了它在乙醇,氨,丙酮气体中的浓度与气敏反射光谱关系,发现它对氨气的气敏光谱波长灵敏范围最大,而且不同波长有不同的灵敏度。解释SnO₂气敏光反射机理。     

SnO2纳米晶的水热合成及其气敏特性

以SnCl2·2H2O和H2O2为主要原料,在无水乙醇和水的混合溶剂中,不同温度下,水热法制备了不同粒径的SnO2纳米晶.利用X射线粉末衍射、透射电子显微镜和比表面积测定等手段对产物进行了表征,并对产物的气敏性进行了测定和分析.结果表明,120、150和180℃时制备的产物均为单相SnO2,其对应的比表面积分别为210.3、125.6和69.2m2/g.产物SnO2对还原性气体CO和C2H5OH均有一定的气敏性,其中对C2H5OH气体的气敏性远大于CO气体.产物气敏性的大小与其比表面积的大小有关,比表面积越大,气敏性越高.     

Sol-gel法制备纳米SnO2气敏材料的研究

用Sol-gel法制备SnO2纳米粒子，并用XRD、紫外吸收光谱和激光Raman光谱进行了表征和分析。XRD实验证实了所制备的粒子具有较理想的纳料尺寸，其粒径随热退火温度升高而增大；Raman光谱表明低温退火时SnO2纳米材料的氧缺位较大；紫外吸收光谱表明退火温度在300－500℃粒径变化很大，但光的吸收稳定不变，可望利用这些性质，提高SnO2气敏器件的性能。     

退火温度对TiO2纳米薄膜酒精气敏特性影响的研究

采用直流磁控溅射的方法在Al2O3陶瓷管、硅基片上溅射制备了二氧化钛(TiO2)纳米薄膜材料.将薄膜样品放入管式退火炉中分别在500℃, 700℃和1100℃温度下退火.由于退火温度的不同,薄膜的晶体结构、晶粒尺寸、晶向以及气敏特性都有所不同.利用X射线衍射(XRD)技术和薄膜气敏特性测试,分析了退火温度对薄膜气敏特性的影响.分析结果表明退火温度在500℃时,呈现锐钛矿结构,薄膜具有很好的选择性、很短的反应(恢复)时间.对TiO2薄膜表面进行修饰,发现此TiO2薄膜的最佳工作温度为370℃左右.薄膜的气敏机理也得到了讨论.     

Surface Spins Pinning Effect on the Magnetic Properties in Co3O4 Nanocrystallites Covered with Polymer Decomposition Residues

We prepare two kinds of Co3O4 antiferromagnetic nanocrystallite systems with different surface structures: one grain surface is covered by polymer decomposition residues (PDRs) (referred to as CS) and the other is naked (NS). It has been found that the magnetic properties of the CS sample deviate greatly from those of the NS     

Ca3Co2O6及其掺镍体系的电子结构计算

用离散变分密度泛函方法(DFT-DVM)计算了钴酸盐Ca3Co2O6及其掺镍体系,讨论了电子结构,化学键等与热电性能之间的关系．结果表明,价带和导带主要由Co3d,Ni3d和O2p原子轨道贡献．价带和导带之间的能隙宽度表现出了半导体电子结构特征,且掺镍体系的能隙比不掺镍体系窄．掺镍体系的共价键和离子键都比不掺镍体系弱．由此得到,掺镍后体系的热电性能将有所改善．     

Enhanced acetone gas sensing performance of the multiple-networked Fe2O3-functionalized In2O3 nanowire sensor

In₂O₃ nanowires functionalized with Fe₂O₃ nanoparticles were synthesized by the thermal evaporation of In₂S₃ powders in an oxidizing atmosphere followed by the solvothermal deposition of Fe₂O₃ and their acetone gas sensing properties were examined. The pristine and Fe₂O₃-functionalized In₂O₃ nanowires exhibited responses of 141–390% and 298–960%, respectively, to 10–500 ppm acetone at 200 °C. The Fe₂O₃-functionalized In₂O₃ nanowire sensor showed stronger electrical response to acetone gas at 200 °C than the pristine In₂O₃ nanowire counterpart. The former showed more rapid response but slower recovery than the latter. Both the pristine and Fe₂O₃-functionalized In₂O₃ nanowire sensors showed the strongest response to acetone gas at 200 °C. The underlying mechanism for the enhanced sensing performance of the Fe₂O₃-functionalized In₂O₃ nanowire sensor towards acetone gas is discussed.     

LED光激活氧化锌纳米棒的乙醇气敏特性

利用水热法制备了氧化锌纳米棒材料,分析表征了样品的形貌及晶体结构特征,并测试了氧化锌纳米棒的光致发光谱。在室温条件下,研究了ZnO 纳米棒在不同波长的发光二极管(LED)光激发下对乙醇气体的气敏特性。结果表明:波长小于405 nm的紫外光对氧化锌纳米棒的气敏特性有着显著的影响,光致载流子对氧化锌的气敏特性有重要作用。分析讨论了室温下光激活纳米氧化锌气敏的机理。     

Effects of O2/Ar flow ratio on the alcohol sensitivity of tin oxide film

The aim of this study is to find the effects of oxygen flow rate during manufacturing on the sensitivity of SnO₂ (tin oxide) thin films to ethanol (C₂H₅OH). In this study, an RF sputtering process was employed to fabricate the SnO₂ thin films. The SnO₂ was deposited on gold electrode silicon microchips. A target composed of SnO₂ doped with 1 at.% Li was used with a working pressure of 3 mTorr. The RF power was fixed at 150 W. The reaction gas was a mixture of argon and oxygen. The total flow rate was constant at 50 sccm with the O₂/Ar ratio varying from 0.2 to 0.8. An annealing heat treatment was employed at 400 °C for 1 h to stabilize the properties of the films. The sensitivity of the film to ethanol was tested by placing the micro-reactor device on a hot plate, heated to 300 °C, and measuring the variation of electrical resistivity of the film with and without the presence of ethanol. The results show that an O₂/Ar flow ratio of 0.2 produces films with the highest ethanol sensitivity. Before heat treating, the ethanol sensitivity was 126. After heat treating at 400 °C for 1 h, the sensitivity decreased to 104.     

Decorating reduced graphene oxide with Co3O4 hollow spheres and their application in supercapacitor materials

In this paper, a composite of reduced graphene oxide decorated by Co₃O₄ hollow spheres (Co₃O₄/RGO composite) has been synthesized by a one-pot solvothermal method. The samples are characterized by X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), and Fourier transform infrared spectroscopy (FT-IR), Raman spectra and so on. The results demonstrate that the Co₃O₄ hollow spheres with good purity and homogenous size are absorbed onto the reduced graphene oxide sheets as spacers to prevent the aggregation of the graphene oxide sheets. Furthermore, the well electrochemical properties demonstrate that the Co₃O₄/RGO composite might have potential applications as electrode materials for supercapacitors.     

柠檬酸溶胶-凝胶法合成纳米SnO2及其气敏性

以SnCl4·5H2O为原料,用柠檬酸溶胶-凝胶法成功的合成了SnO2纳米粉体,利用XRD等手段对其进行表征,并进行气敏性测试,结果表明,该方法制备的SnO2纳米粉体对氯气有较高的灵敏度。     

Sonochemical synthesis and characterization of Co3O4 nanocrystals in the presence of the ionic liquid [EMIM][BF4]

For the first time, a sonochemical process has been used to synthesis cobalt oxide Co₃O₄ nanoflowers and nanorods morphology in the presence of the ionic liquid 1-Ethyl-3-methylimidazolium tetrafluoroborate [EMIM][BF₄] as reaction media and morphology template. Different sonication time periods and different molar ratios of the ionic liquid (IL) were used to investigate their effects on the structural, optical, chemical and magnetic properties of the produced Co₃O₄ nanoparticles. During synthesis process brown powder contains cobalt hydroxide Co(OH)₂ and cobalt oxyhydroxide (Cobalt hydroxide oxide) CoO(OH) was formed, after calcination in air for 4 h at 400 °C a black powder of Co₃O₄ nanoparticles was produced. The produced Co₃O₄ nanoparticles properties were characterized by X-ray diffraction (XRD), Field Emission Scanning Electron Microscopy (FE-SEM), transmission electron microscopy (TEM), FTIR spectroscopy, UV–vis spectroscopy, and Vibrating Sample Magnetometer (VSM). To explain the formation mechanism of Co₃O₄ NPs some investigations were carried on the brown powder before calcination.     

球形SnO2 纳米微粒的合成及形成机理分析

以SnCl4·5H2 O为主要原料 ,用溶剂热技术在油酸体系中成功地合成了球形SnO2 纳米微粒 ,在无水乙醇体系中合成了菱形的SnO2 纳米微粒 .通过X射线粉末衍射 (XRD) ,选区电子衍射 (SAED)和透射电镜 (TEM )对两种产物进行了表征 ,并对两种产物的形成机理进行了分析 .透射电镜 (TEM)结果表明 :在油酸体系中得到了平均尺寸约为 3.5nm的球形SnO2 纳米微粒 ,此微粒趋向于特殊高的比表面积 ,适合于作气敏探测器材料方面的应用     

非金属与金属原子共掺杂石墨烯体系的气敏特性研究

采用基于密度泛函理论的第一性原理方法研究了非金属N原子和金属原子(M=Mo,Al,Co,Fe,Au和Pt)共掺杂石墨烯体系(M-GN4)的电子结构和表面活性.研究发现:单个金属原子掺杂的GN4体系表现出不同的稳定性,相比掺杂的Au原子,其它的金属原子都具有很高的稳定性( 6. 0 e V).掺杂的金属原子失去电荷显正电性将有助于调控气体分子的吸附特性. Mo-GN4和Al-GN4衬底对吸附的O_2表现出较高的灵敏性,单个CO和O_2分子在Co-GN4和Fe-GN4衬底的吸附能差别较小.此外,吸附不同的气体分子能够有效地调控M-GN4体系的电子结构和磁性变化.