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111.
An analytical forward model and numerical algorithm for retrieving the parameters of water cloud of earth atmosphere from optical measurements carried out by satellite-based lidars is presented. The forward model, based on the analytical solution of the radiative transfer equation, is used to fit the temporal profile of the laser light pulses backscattered from the cloud layers. The cloud parameters extracted from the analysis at each position on earth include the transport mean free path, the average radius of water drops, the density of drops, the scattering length, the scattering cross section, the anisotropy factor, and the altitude of top level of major clouds. Also estimated is the possible thickness of cloud layers. The efficacy of the approach is demonstrated by generating parameters of water cloud using the data collected by NASA's cloud-aerosol lidar and infrared pathfinder satellite observations (CALIPSO) satellite when it passed through North America on August 7, 2007. 相似文献
112.
为研究Pd/Au纳米结构制备和电催化性能、控制粒子大小组分和自旋,用油浴热分解方法制备了核/壳纳米结构Pd/Au双金属合金纳米颗粒,采用PVP和多元醇作表面活性剂和稳定剂,依据溶液浓度、颗粒大小、吸附能控制晶相获得了均匀、一致的2层和3层Pd/Au纳米样品,并采用HAADF和HRTEM测试了纳米结构尺寸形貌,用EDS测试了成分分布,试验产物用TEM/XRD进行了表征,结果表明,Pd/Au具有面心立方八面体结构,与Au/Pd核壳不同,纳米Pd/Au具有活性、耐久性、电催化性和稳定性。 相似文献
113.
Dominique Costa Kamal Sharkas Mazharul M. Islam Philippe Marcus 《Surface science》2009,603(16):2484-2493
The reactivity of the (0 0 0 1)-Cr–Cr2O3 surface towards water was studied by means of periodic DFT + U. Several water coverages were studied, from 1.2H2O/nm2 to 14.1H2O/nm2, corresponding to ¼, 1, 2 and 3 water/Cr at the (0 0 0 1)-Cr2O3 surface, respectively. With increasing coverage, water gradually completes the coordination sphere of the surface Cr atoms from 3 (dry surface) to 4 (1.2 and 4.7H2O/nm2), 5 (9.4H2O/nm2) and 6 (14.1H2O/nm2). For all studied coverages, water replaces an O atom from the missing above plane. At coverages 1.2 and 4.7H2O/nm2, the Cr–Os (surface oxygen) acid–base character and bond directionality govern the water adsorption. The adsorption is molecular at the lowest coverage. At 4.7H2O/nm2, molecular and dissociative states are isoenergetic. The activation energy barrier between the two states being as low as 12 kJ/mol, allowing protons exchanges between the OH groups, as evidenced by ab inito molecular dynamics at room temperature. At coverages of 9.4 and 14.1H2O/nm2, 1D- (respectively, 2D-) water networks are formed. The resulting surface terminations are –Cr(OH)2 and –Cr(OH)3– like, respectively. The increased stability of those terminations as compared to the previous ones are due to the stabilization of the adsorbed phase through a H-bond network and to the increase in the Cr coordination number, stabilizing the Cr (t2g) orbitals in the valence band. An atomistic thermodynamic approach allows us to specify the temperature and water pressure domains of prevalence for each surface termination. It is found that the –Cr(OH)3-like, –Cr(OH)2 and anhydrous surfaces may be stabilized depending on (T, P) conditions. Calculated energies of adsorption and OH frequencies are in good agreement with published experimental data and support the full hydroxylation model, where the Cr achieves a 6-fold coordination, at saturation. 相似文献
114.
Molecular dynamics simulations have been carried out for small water clusters (N=16, 32, 64) in a d.c. electric field at T=200 K. It was shown that for relatively weak fields, there was a significant decrease of reorientational and structural relaxation times for all cluster sizes examined. Regarding the molecular reorientational motions, in the strong field regime, a decoupling of tumbling and spinning librations was observed. Reorientational relaxation times of the dipole and
vector joining the two hydrogen atoms were found to follow different relaxation laws, with the former decreasing and the latter increasing with electric field increase. These trends were qualitatively explained by invoking the Debye model with field-dependent friction for dipole librations and the symmetric double-well for spinning rotations on a plane perpendicular to the field axis. Finally, the interdependence of the reorientation on the translational modes of the cluster was indicated, with the translationally slow molecules being rotationally slow as well and vice versa. 相似文献
115.
116.
Robert A. Toth 《Journal of Molecular Spectroscopy》2011,265(2):59-68
The necessity to revisit water spectroscopy at 6 μm was prompted by recent work indicating that some prior measurements of H216O line strengths (ranging through seven orders of magnitude) had larger than expected systematic errors for the stronger transitions. To investigate this, linestrengths of stronger transitions were re-measured (with 14 new H2O spectra recorded with a Bruker 125 HR Fourier transform spectrometer at the Jet Propulsion Laboratory) and combined with re-analyzed prior results (obtained at higher optical densities from 32 spectra recorded with the FTS at Kitt Peak). Systematic differences for some of the older data sets were identified and corrected. In this paper, an internally-consistent sampling of 1243 selected line strengths are reported for (0 1 0)-(0 0 0) and (0 2 0)-(0 1 0) transitions between 783 and 2378 cm−1. To confirm experimental precisions, observed and calculated line strengths are compared. 相似文献
117.
Doubly tunable sum frequency generation (SFG) spectra demonstrate that the water molecules at gold/electrolyte interface change their orientation with applied potential. At negative potentials, water molecules in the double layer align with their oxygen atom pointing to the solution. As potential became positive to be close to the potential of zero charge (PZC), the SFG signal decreased, suggesting the OH groups of the water molecule are either in random orientation or parallel to the electrode. As potential became more positive than the PZC, the SFG signal increased again with the oxygen-up orientation as same as in the negative potential region, indicating that water molecules interact with the adsorbed sulfate anions. The peak position of the SFG spectra indicates a relatively disordered state of water molecules at the gold electrode surface, in contrast to the previously observed ice-like structure of water at electrolyte/oxide interfaces. 相似文献
118.
The three-dimensional structure of the calcite (104)-water interface has been determined with surface X-ray scattering. Nine crystal truncation rods (including specular and non-specular rods) were measured providing both vertical and lateral sensitivity to the interfacial structure. The results reveal that calcite is nearly ideally terminated with a single surface hydration layer that includes two inequivalent water molecules having distinct heights of 2.3 ± 0.1 and 3.5 ± 0.2 Å, each with a well-defined lateral registry with respect to the calcite surface. No additional layering of water is observed beyond this surface hydration layer. Small displacements in the outer two calcium carbonate layers were also observed. These results are compared with previous experimental and computational results. 相似文献
119.
Vincent Maurice 《Surface science》2005,581(1):88-104
STM, STS, LEED and XPS data for crystalline θ-Al2O3 and non-crystalline Al2O3 ultra-thin films grown on NiAl(0 0 1) at 1025 K and exposed to water vapour at low pressure (1 × 10−7-1 × 10−5 mbar) and room temperature are reported. Water dissociation is observed at low pressure. This reactivity is assigned to the presence of a high density of coordinatively unsaturated cationic sites at the surface of the oxide film. The hydroxyl/hydroxide groups cannot be directly identify by their XPS binding energy, which is interpreted as resulting from the high BE positions of the oxide anions (O1s signal at 532.5-532.8 eV). However the XPS intensities give evidence of an uptake of oxygen accompanied by an increase of the surface coverage by Al3+ cations, and a decrease of the concentration in metallic Al at the alloy interface. A value of ∼2 for the oxygen to aluminium ions surface concentration ratio indicates the formation of an oxy-hydroxide (AlOxOHy with x + y ∼ 2) hydroxylation product. STM and LEED show the amorphisation and roughening of the oxide film. At P(H2O) = 1 × 10−7 mbar, only the surface of the oxide film is modified, with formation of nodules of ∼2 nm lateral size covering homogeneously the surface. STS shows that essentially the valence band is modified with an increase of the density of states at the band edge. With increasing pressure, hydroxylation is amplified, leading to an increased coverage of the alloy by oxy-hydroxide products and to the formation of larger nodules (∼7 nm) of amorphous oxy-hydroxide. Roughening and loss of the nanostructure indicate a propagation of the reaction that modifies the bulk structure of the oxide film. Amorphisation can be reverted to crystallization by annealing under UHV at 1025 K when the surface of the oxide film has been modified, but not when the bulk structure has been modified. 相似文献
120.