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71.
We have used the periodic quantum-mechanical method with density functional theory at the B3LYP level in order to study TiO2/Sn doped (1 1 0) surfaces and have investigated the structural, electronic and energy band properties of these oxides. Our calculated relaxation directions for TiO2 is the experimental one and is also in agreement with other theoretical results. We also observe for the doped systems relaxation of lattice positions of the atoms. Modification of Sn, O and Ti charges depend on the planes and positions of the substituted atoms. Doping can modify the Fermi levels, energy gaps as well as the localization and composition of both valence and conduction band main components. Doping can also modify the chemical, electronic and optical properties of these oxides surfaces increasing their suitability for use as gas sensors and optoelectronic devices. 相似文献
72.
XPS measurement revealed that the original state of TiO2 was changed to Ti2O3 and TiO by ion bombardment. TiO2 decreased and Ti2O3 increased at the initial stage. TiO increased at a later stage than Ti2O3. Each of them saturated after enough sputtering time.A formulation was proposed in order to explain the change of XPS spectra for oxides as a function of ion sputtering time. This formulation was based on reaction equations that contain two reduction processes (from TiO2 to Ti2O3 and from Ti2O3 to TiO), and sputtering effects. Using four fitting parameters (two reduction coefficients, sputtering yield and information depth), the present formula was fitted to the experimental results. The fitting results agree satisfactorily with the experimental results. The calculation shows that the reduction coefficient from TiO2 to Ti2O3 is about ten times larger than that from Ti2O3 to TiO. This calculation predicts that surface composition of an oxide that is changed by ion bombardment will reach a different value depending on its bulk composition. Moreover, the present formulation can determine the chemical states of compounds changed by ion bombardment. 相似文献
73.
Erzs bet Ill s Etelka Tomb cz 《Colloids and surfaces. A, Physicochemical and engineering aspects》2003,230(1-3):99-109
The ionic strength dependence of humic acid (HA) adsorption on magnetite (Fe3O4) was investigated at pH 5, 8 and 9, where variable charged magnetite is positive, neutral and negative, respectively. The adsorption studies revealed that HA has high affinity to magnetite surface especially at lower pH, where interacting partners have opposite charges. However, in spite of electrostatic repulsion at pH 9 notable amounts of humate are adsorbed. Increasing ionic strength enhances HA adsorption at each pH due to charge screening. The dominant interaction is probably a ligand-exchange reaction, nevertheless the Coulombic contribution to the organic matter accumulation on oxide surface is also significant under acidic condition. The results from size exclusion chromatography demonstrate that the smaller size HA fractions enriched with functional groups are adsorbed preferentially on the surface of magnetite at pH 8 in dilute NaCl solution. 相似文献
74.
S. Mentus Dijana Jelić Veselinka Grudić 《Journal of Thermal Analysis and Calorimetry》2007,90(2):393-397
Thermal decomposition of lanthanum nitrate to lanthanum oxide was carried out by both temperature programmed heating (TPH)
and citrate-gel combustion. The temperature programmed heating was carried out under flow of oxidizing (air), neutral (nitrogen)
and reducing (25 vol.% hydrogen+argone mixture) gases, and the processes were controlled by simultaneous thermogravimetry
and differential thermal analysis. It was shown that hydrogen atmosphere helps to reduce temperatures of all decomposition
steps. The results of TPH were utilized to check the nature of residues in the products of lanthanum nitrate-to-oxide conversion
performed via citrate-gel combustion technique. 相似文献
75.
The electronic states of the Cr overlayers on TiO2(0 0 1) surfaces have been investigated using angle-resolved and resonant photoemission spectroscopy with synchrotron radiation. At lower coverages, Cr deposition on TiO2(0 0 1) creates two well separated in-gap emissions due to the formation of surface Ti3+ (3d1) ions and Cr3+ (3d3) ions. At higher coverages, the in-gap emission is developed into the 2-peak-structure emission of Cr 3d character. The corresponding state is considered to be of metallic nature from the viewpoint of the high ability of oxygen adsorption, but has no Fermi edge, indicating a possibility of forming small Cr clusters on TiO2(0 0 1) at this stage. 相似文献
76.
Yen-Shung TSAI 《中国科学A辑(英文版)》2007,50(7):1026-1034
By means of further investigation of solid codes,the problem“Is every fd-domain uni- formly dense”proposed by Yuqi Guo,C.M.Reis and G.Thierrin in 1988 is solved in this paper. 相似文献
77.
78.
79.
SXDG—1型汽车前照灯全自动检测仪是用于检测汽车前照大灯光轴的偏斜情况及发光强度并进行定量检验的专用设备。它可以自动测出有关参数,并予以数字显示和打印输出。本文介绍了该仪器的主要性能、工作原理及微机控制系统(包括硬件结构和软件设计思想等)。 相似文献
80.
The solid transitions of C21, C23 and C25
n-paraffins are examined from a piezothermal point of view. The paper is divided into two parts. The first is a report of the main features of a piezothermal analyzer when pressure scanning allows the continuous record of the expansivity as a function of pressure up to 5 Kilobars. Small samples are required and the scanning speeds vary from 0.3 to 16 Kilobars per hour. The second part describes the experimental procedure appropriate for solid state determinations. The resulting piezothermograms are presented and entropies of transformation are determined. A model allows a crude statistical approach giving the entropies of transformation with the correct order of magnitude. Problems related with phase transformations under a shearing stress are considered.
Zusammenfassung Feststoffumwandlungen bei C21, C23 und C25 n-Paraffinen wurden unter dem Gesichtspunkt der Piezowärme untersucht. Im ersten Teil vorliegender Arbeit werden die Haupteigenschaften eines piezothermischen Analysators beschrieben, bei dem durch Druck-Scanning die kontinuierliche Aufzeichnung des Ausdehnungsvermögens als Punktion des Druckes bis zu 5 kbar ermöglicht wird. Es werden nur kleine Proben benötigt, die Scanning-Geschwindigkeit variiert zwischen 0,3 und 16 kbar/h. Der zweite Teil beschreibt das geeignete experimentelle Verfahren zur Feststoffzustandsbestimmung. Die erhaltenen Piezothermogramme werden dargestellt und die Entropien der Umwandlung bestimmt. Ein Modell liefert eine grobe statistische Näherung, die die Entropien der Umwandlung in der richtigen Grö\enordnung liefert. Probleme in Zusammenhang mit Phasenumwandlungen bei Scherbeanspruchungen werden betrachtet.相似文献