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41.
42.
David Loffreda 《Surface science》2006,600(10):2103-2112
Adsorption thermodynamics based on density functional theory (DFT) calculations are exposed for the interaction of several multifunctional molecules with Pt and Au(1 1 0)-(1 × 2) surfaces. The Gibbs free adsorption energy explicitly depends on the adsorption internal energy, which is derived from DFT adsorption energy, and the vibrational entropy change during the chemisorption process. Zero-point energy (ZPE) corrections have been systematically applied to the adsorption energy. Moreover the vibrational entropy change has been computed on the basis of DFT harmonic frequencies (gas and adsorbed phases, clean surfaces), which have been extended to all the adsorbate vibrations and the metallic surface phonons. The phase diagrams plotted in realistic conditions of temperature (from 100 to 400 K) and pressure (0.15 atm) show that the ZPE corrected adsorption energy is the main contribution. When strong chemisorption is considered on the Pt surface, the multifunctional molecules are adsorbed on the surface in the considered temperature range. In contrast for weak chemisorption on the Au surface, the thermodynamic results should be held cautiously. The systematic errors of the model (choice of the functional, configurational entropy and vibrational entropy) make difficult the prediction of the adsorption-desorption phase boundaries. 相似文献
43.
光学相关识别是图像识别的重要方法,有效识别相关器输出平面的相关峰信号是保证光学相关器图像识别准确性的关键。由于激光器输出功率的波动、光学系统本身的误差以及SLM器件本身带来的噪声,采用一般的阈值方法很难达到理想的效果。该文提出对相关器的输出平面进行预处理,充分考虑相关信号的形状信息,提取感兴趣区域(ROI),采用BP神经网络对输入矢量进行计算,可达到对相关峰信号和噪声的有效分类识别,从而提高了光学相关器识别的可靠性,降低了误判的概率。 相似文献
44.
Y. Fukuda T. Kobayashi H. Yoshida T. Sekizawa N. Sanada 《Applied Surface Science》2002,190(1-4):279-283
Adsorption and decomposition of triethylindium (TEI: (C2H5)3In) on a GaP(0 0 1)-(2×1) surface have been studied by low-energy electron diffraction (LEED), Auger electron spectroscopy (AES), temperature-programmed desorption (TPD) and high-resolution electron energy loss spectroscopy (HREELS). It is found from the TPD result that ethyl radical and ethylene are evolved at about 300–400 and 450–550 K, respectively, as decomposition products of TEI on the surface. This result is quite different from that on the GaP(0 0 1)-(2×4) surface. The activation energy of desorption of ethyl radical is estimated to be about 93 kJ/mol. It is suggested that TEI is adsorbed molecularly on the surface at 100 K and that some of TEI molecules are dissociated into C2H5 to form P–C2H5 bonds at 300 K. The vibration modes related to ethyl group are decreased in intensity at about 300–400 and 450–550 K, which is consistent with the TPD result. The TEI molecules (including mono- and di-ethylindium) are not evolved from the surface. Based on the TPD and HREELS results, the decomposition mechanism of TEI on the GaP(0 0 1)-(2×1) surface is discussed and compared with that on the (2×4) surface. 相似文献
45.
Based on scalar diffraction theory, 8-phase-level 256×256 elements diffractive microlens array with element dimension of 50×33 μm2 have been fabricated on the back-side of PtSi(3~5 μm) infrared CCD. The measurement results indicated that the ratio of the signal-to-noise of the infrared CCD with microlens was increased by a factor of 2.8. 相似文献
46.
联合功率谱的高频成份对相关峰识别具有重要作用,实验中记录的联合功率谱随着频率的增加其强度迅速降低。为增强联合功率谱的高频成分,改善其调制程度,可对功率谱进行对数变换,从而有效保留更多的高频成份,压低零级衍射光斑,提高联合变换相关器的识别能力。 相似文献
47.
S. Sarkar A. D. Thakur C. V. Tomy G. Balakrishnan D. McK Paul S. Ramakrishnan A. K. Grover 《Pramana》2006,66(1):193-207
New experimental data are presented on the scan rate dependence of the magnetization hysteresis width ΔM(H) (∞ critical current densityJ
c(H)) in isothermalMH scans in a weakly pinned single crystal of Ca3Rh4Sn13, which displays second magnetization peak (SMP) anomaly as distinct from the peak effect (PE). We observe an interesting
modulation in the field dependence of a parameter which purports to measure the dynamical annealing of the disordered bundles
of vortices injected through the sample edges towards the destined equilibrium vortex state at a givenH. These data, in conjunction with the earlier observations made while studying the thermomagnetic history dependence inJ
c(H) in the tracing of the minor hysteresis loops, imply that the partially disordered state heals towards the more ordered state
between the peak field of the SMP anomaly and the onset field of the PE. The vortex phase diagram in the given crystal of
Ca3Rh4Sn13 has been updated in the context of the notion of the phase coexistence of the ordered and disordered regions between the
onset field of the SMP anomaly and the spinodal line located just prior to the irreversibility line. A multi-critical point
and a critical point in the (H,T) region of the Bragg glass phase have been marked in this phase diagram and the observed behavior is discussed in the light
of recent data on multi-critical point in the vortex phase diagram in a single crystal of Nb. 相似文献
48.
考虑二阶常微分方程x″ f(t)x=0,t≥a,(1)假设应用Riccati方法得到方程(1)的主解(principal solution)的一个渐近积分并研究其副解(nonprincipal solutions)的三种不同的渐近性质.主要结果如下:定理1 若(Ⅰ)成立,则方程(1)有解x_1满足及另一解x_2满足x_2(t)=t[1 o(1)]. 反之,若方程(1)有解x(t)→1,t→∞,则(Ⅰ)成立. 定理2 设(Ⅰ)成立.(i)若(Ⅱ)成立,则方程(1)有解x_2使x_2’(t)=1 [tF(t) G(t)][1 o(1)] o(1). (ii) 反之,若方程(1)有解x使x’→1,t→∞,则(Ⅱ)成立. 定理3 若(Ⅲ)和(Ⅳ)成立,则方程(1)有解x_1满足(2)及解x_2满足 相似文献
49.
50.
ZhengBin Zhang Chunying Liu Peifeng Li Zhenzhen Wu Cai Lin Huawei Huang Lei Xing Liansheng Liu 《Frontiers of Chemistry in China》2006,1(1):86-97
Many food algae and red tide algae were cultivated in the f/2 medium, and the nitric oxide (NO) concentration of the medium
and the cell density were determined. The experiments on algae were conducted when different concentrations of NO were added
into the medium using two methods. The results show that low concentrations of NO were self-produced by marine algae during
the exponential growth period and were about nmol/L level. But at the end of the period, i.e., 2 or 3 days before the cell
density reaches the maximum, an NO peak appeared, with the NO concentration reaching 10 nmol/L. The NO threshold concentration
exists according to the influence of exogenous NO on the marine phytoplankton growth. One type is the threshold concentration
that can promote algae growth, and its value is between 10 and 1 nmol level, or even lower. The other type can inhibit the
phytoplankton growth, which is about μmol level or higher. The results indicate that red tide algae are far more sensitive
to NO than are food algae. The fundamental experimental outcome above may provide a new clue for red tide chemical forecast
by inspecting the NO change. 相似文献