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951.
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
952.
953.
Viktor A. Nikolaenko Yurii Z. Kovdrya Sergey P. Gladchenko 《Journal of Molecular Liquids》2005,120(1-3):171-174
The magnetotransport in a nondegenerate quasi-one-dimensional (Q1D) electron system over superfluid helium has been investigated experimentally. The measurements are performed in the presence of a perpendicular magnetic field B up to 2.6 T in the temperature range T=0.48–2.05 K in the system of conducting channels of 100–400 nm width. It is shown that the value of longitudinal magnetoresistance ρxx increases with B. In the electron-gas scattering region (T>0.9 ), the behaviour of ρxx agrees with classical Drude law. In the quantum transport regime, the self-consistent Born approximation (SCBA) theory for a 2D electron system over liquid helium describes the experimental data qualitatively. The deviation due to the difference of the experimentally studied Q1D system of the electrons in a parabolic potential well differs from theoretically analysed one. The experimental data agree with the theoretical calculation for the Q1D electron system at the weak magnetic field and the low temperature.
The negative magnetoresistance of the conducting channels has been observed in both the gas- and the ripplon-scattering region. These effects have been explained by weak carrier localization on the gas atoms at high temperature and by display of the quantum magnetotransport features in a mesoscopic system at low temperature. 相似文献
954.
955.
P L Melgarejo M Ternero I Gracia 《International journal of environmental analytical chemistry》1986,24(4):283-295
A study of the atmospheric pollution by suspended particulate lead in the city of Seville, Spain, was carried out during the period between March 1983 and February 1984. The results obtained from seven sampling stations allowed us to study the site to site variations; there are two locations with average annual concentrations higher than 2 micrograms X m-3. In one station, the meteorological and traffic effects and relationship with other traffic-related pollutants, were investigated. The regression analyses performed on the average monthly data have shown an inverse correlation with wind speed and temperature and a direct correlation with carbon monoxide and smoke concentrations, but no significant correlation was found with the lead deposition levels. 相似文献
956.
957.
958.
C. S. Munita L. P. Barroso P. M. S. Oliveira 《Journal of Radioanalytical and Nuclear Chemistry》2006,269(2):335-338
Summary In general, when characterizing samples, such as ceramic samples or other types of samples, for first time by means of chemical
elements, the analyst measures a large number of variables, many of which may not be very informative. In fact, some may even
be unrelated to the issue at hand and blur the picture instead of making it clearer. In subsequent studies the analyst may
wish to measure fewer variables for several reasons, such as being very time consuming; in cases where measurement time is
important, such as on-line monitoring; in order to reduce cost or effort; etc. Therefore, the hope is to determine those variables
that are most relevant without losing essential information and to remove the less productive information. The problem is
how to perform this in an objective way and to capture crucial information using a multivariate analysis. This paper aims
to describe and illustrate a stopping rule for the identification of redundant variables, and the selection of variable subsets,
preserving multivariate data structure using stepwise discriminant analysis, selecting those variables that are in some senses
adequate for discrimination purposes. One illustrative example using data sets obtained via INAA of ceramic samples from two
archaeological sites is provided. 相似文献
959.
960.