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ABSTRACTThe stable configurations, electronic structures and catalytic activities of single-atom metal catalyst anchored silicon-doped graphene sheets (3Si-graphene-M, M?=?Ni and Pd) are investigated by using density functional theory calculations. Firstly, the adsorption stability and electronic property of different gas reactants (O2, CO, 2CO, CO/O2) on 3Si-graphene-M substrates are comparably analysed. It is found that the coadsorption of O2/CO or 2CO molecules is more stable than that of the isolated O2 or CO molecule. Meanwhile, the adsorbed species on 3Si-graphene-Ni sheet are more stable than those on the 3Si-graphene-Pd sheet. Secondly, the possible CO oxidation reactions on the 3Si-graphene-M are investigated through Eley–Rideal (ER), Langmuir–Hinshelwood (LH) and new termolecular Eley–Rideal (TER) mechanisms. Compared with the LH and TER mechanisms, the interaction between 2CO and O2 molecules (O2?+?CO → CO3, CO3?+?CO → 2CO2) through ER reactions (< 0.2?eV) are an energetically more favourable. These results provide important reference for understanding the catalytic mechanism for CO oxidation on graphene-based catalyst. 相似文献
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建立了工作场所空气中汞及其化合物的高锰酸钾-二氧化锰混合固体吸附管捕集、冷原子吸收测定方法。用高锰酸钾与二氧化锰按质量比1∶1混合后填装玻璃管制成固体吸附管捕集工作场所空气中汞,并以0.90 mol·L-1的硫酸溶液解吸后冷原子吸收光谱法测定,与高锰酸钾-硫酸吸收液法的采样效率、样品稳定性、穿透容量进行了比对。在0.000 2~0.015 0 mg·L-1的浓度范围内线性关系良好,相关系数为0.999 1,空气中汞在0.001~2.820 mg·m-3范围内,平均采样效率为99.9%~100.0%,300 mg吸附剂对汞的穿透容量大于505.4 μg,吸附管对汞的平均加标回收率为96.4%~103.8%,日内、日间精密度分别为3.0%~3.3%,3.5%~5.2%,最低检出浓度为0.001 3 mg·m-3(以采集7.5 L空气样品计)、0.000 6(以96 L空气样品计)。采集后的吸附管在室温下保存30 d,下降率小于0.1%。固体吸附管采样方法简单,适用于工作场所空气中汞及其化合物的短时间、时间加权平均浓度及个体暴露浓度的采样检测。 相似文献
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B. Deconihout A. Vella F. Vurpillot G. Da Costa A. Bostel 《Applied Physics A: Materials Science & Processing》2008,93(4):995-1003
The 3DAP allows to image a material in 3D on a nearly atomic scale. It is based on the field evaporation occurring at the
surface of a biased tip like shape specimen with an end radius of 50 nm. Surface atoms are removed one by one from the tip
by means of fs laser pulses so that the physical process involved in this laser enhanced field evaporation might correspond
to the very early stages of the ablation process. This technique makes possible to distinguish between different regimes of
material removal such as thermal evaporation or in the case of metals or semiconductors an evaporation assisted by the rectification
of the optical field at the surface. In this paper the principle of the 3DAP is presented and the underlying physics involved
in the field evaporation assisted by femtosecond laser pulses is discussed. 相似文献
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P.M.A. Farias B.S. Santos A.A.S. Vieira A.G. Castro-Neto A.H.G.B. Da Cunha J.C.O.F. Amaral 《Applied Surface Science》2008,255(3):691-693
We present and discuss the application of colloidal semiconductor quantum dots for diagnostic purposes, with special emphasis for cancer. We prepared and applied core-shell cadmium sulfide-cadmium hydroxide (CdS/Cd(OH)2) semiconductor quantum dots in aqueous medium. Tissue and cells labeling was evaluated by laser scanning confocal microscopy as well as by conventional fluorescence microscopy. The procedure presented in this work, shown to be a promising tool for fast, low-cost and precise cancer diagnostic protocols. 相似文献
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A. Paesano Jr. S. C. Zanatta S. N. De Medeiros L. F. CÓtica J. B. M. Da Cunha 《Hyperfine Interactions》2005,161(1-4):211-220
We have investigated the mechanosynthesis of gadolinium and yttrium iron garnets by high-energy ball-milling of α-Fe2O3 and Gd2O3 or α-Fe2O3 and Y2O3, respectively, followed by short thermal annealings conducted at moderate temperatures. The samples were characterized by X-ray diffraction and Mössbauer spectroscopy, in order to determine the influence of the milling time and annealing conditions on the final products. For as-milled samples of each rare-earth system, the results revealed the formation of perovskite phases, in relative amounts that depend on the milling time. The formation of garnet phases was observed in as-annealed samples treated at 1000°C for 2 h or 1100°C for 3 h, i.e., at very modest annealing requirements when compared with ordinary solid-state-reaction processes performed without previous high-energy milling. Also, the occurrence was verified of a milling time for which the relative amount of garnet phases formed by annealing was maximized. This time depends on the rare-earth composing the garnet phase and on the annealing temperature. 相似文献
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用电沉积方法得到了不同浓度硫酸锌电解液的分形凝聚图像;进行图像处理,得到了其分形维数与浓度的关系曲线;用粒子扩散限制凝聚模型解释了此关系 相似文献
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智能系统FDSS是直接构造出表现模糊逻辑的一套硬件。作为专家系统的核心,可以通过从经验规则而来的分立电子线路模块与计算机接口相缝合,达到使形式化知识及非形式化知识融溶一体,综合运用的目的。 相似文献