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姚利花 《原子与分子物理学报》2019,36(1):68-72
采用基于密度泛函理论的第一性原理方法,研究了本征石墨烯和缺陷石墨烯吸附钠原子的电荷密度、吸附能、态密度和储存量.结果表明,本征石墨烯中,钠原子的最佳吸附位置为H位,缺陷石墨烯中,钠原子的最佳吸附位置为T_D位.缺陷石墨烯对钠原子的吸附能是-4.423 eV,约为本征石墨烯对钠原子吸附能的2.5倍;钠原子与缺陷石墨烯中的碳原子发生轨道杂化,而与本征石墨烯没有发生轨道杂化现象.缺陷石墨烯能够吸附10个钠原子,与本征石墨烯相比显著提高.因此,缺陷石墨烯有望成为一种潜在的储钠材料. 相似文献
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The effects of pulse ultrasound with different pulse parameter on the adsorption isotherm and kinetics of Geniposide on Resin 1300 were studied. And the mass transfer model describing the adsorption process was constructed. Amount of Geniposide adsorbed on Resin 1300 in the presence of ultrasound is lower than that in the absence of ultrasound. At our experimental conditions, the adsorption equilibrium constant decreases with increasing ultrasonic intensity and pulse duty ratio, and with decreasing pulse period. In addition, pulse ultrasound can enhance both liquid film diffusion and intraparticle diffusion, and the intensification of liquid film diffusion with pulse ultrasound is stronger than that of intraparticle diffusion. The intraparticle diffusion coefficient D(e)/R2 increases with increasing ultrasonic intensity and pulse duty ratio, and with decreasing pulse period. 相似文献
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Coadsorption of H2 and CO on Pd has been studied using TDS and ESD techniques. It has been observed that the presence of 10% CO in the H2 dosing gas during exposure gives rise to a drastic change in the TDS spectra of H2 compared to the case when only H2 is separately adsorbed. Furthermore, significant modifications occur in the ESD energy distribution of CO+ and H+ as a result of coadsorption of H2 and CO. These observations are taken as evidence of adsorbate interaction possibly resulting in formation of an HCO surface complex. 相似文献
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基于密度泛函理论的第一性原理计算方法,研究了Pt原子在五边形石墨烯(PG)上的吸附与动力学行为.研究结果表明,单个Pt原子在PG上虽然具有较大的吸附能及较高的扩散势垒,却不能够在衬底形成均匀分散的单原子.这是因为,随Pt原子数增加,Ptn(n=1, 2, 3)在PG上的平均结合能也逐渐增加,更倾向于形成团簇,该发现有效否定了之前的报道称Pt能在PG上形成稳定的单原子催化剂这一结论(Phys. Chem. Chem. Phys. 21, 12201 (2019)).基于此,我们考虑对PG施加双轴应变,随着拉伸应力增加,Pt金属原子间的平均结合能逐渐降低,当拉伸应变施加至12%左右时,单个Pt在衬底上的结合能与Pt2在衬底上的平均结合能相等,从而实现PG上均匀分散的Pt单原子催化剂.该结果对五边形石墨烯基材料应变调控实现单原子催化剂提供理论借鉴. 相似文献
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为实现对复合材料表面及浅表面损伤的快速检测,采用振动热成像技术,对复合材料在疲劳、冲击等不同作用下产生的损伤进行了检测研究。分析了瞬时性和周期性两种内生热源形式下平板构件的表面温度场分布。基于有限元法计算了表面裂纹、浅表面分层及内部脱粘等不同类型损伤在振动激励条件下的生热情况。在设计制作复合材料疲劳裂纹试件和冲击损伤试件的基础上,利用超声波发生器和红外热像仪开展了试验研究。结果表明:振动热成像技术能够快速准确地检测到复合材料表面及浅表面的紧贴型损伤;通过红外序列图中热斑形状可判断损伤的类型。 相似文献
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氧化锌薄膜Zn/O比和发光性能的关系 总被引:11,自引:3,他引:8
用直流反应溅射在硅基片上生长具有高取向晶粒的氧化锌薄膜,在氧气、氮气、空气气氛和不同温度下进行热处理,对所得到的样品用俄歇谱(AES)仪进行元素深层分布分析,并测量光致发光光谱。研究结果表明:1.经热处理的薄膜表面全部为缺氧表面,不同深度Zn和O含量分布(Zn/O)有所不同;2.当在氧气氛中1000℃下热处理后,在薄膜的深层可产生比较明显的氧过量;而在空气中950℃下热处理后,则可产生局部氧过量;3.光致发光谱表明,薄膜中全部为锌过量时产生纯紫外发射,而具有局部氧过量的薄膜则在产生紫外发射的同时产生绿色发光,绿光和紫外的强度比则随局部氧过量增多而增大。 相似文献
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Effects of ultrasound on adsorption-desorption of p-chlorophenol on granular activated carbon 总被引:2,自引:0,他引:2
The aim of this work is the evaluation of the effects of ultrasound on p-chlorophenol adsorption-desorption on granular activated carbon. Adsorption equilibrium experiments and batch kinetics studies were carried out in the presence and the absence of ultrasound at 21 kHz. Results indicate that the adsorption of p-chlorophenol determined in the presence of ultrasound is lower than the adsorption observed in the absence of ultrasound. Desorption of p-chlorophenol from activated carbon with and without the application of ultrasound was studied. The desorption rates were favoured by increased ultrasound intensity. This rise is more noticeable as temperature increases. The addition of ethanol or NaOH to the system causes an enhancement of the amount of p-chlorophenol desorbed, especially in the presence of ultrasound. A synergetic enhancement of the desorption rate was observed when ultrasonic irradiation was coupled with ethanol chemical regeneration. 相似文献
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为实现对复合材料表面及浅表面损伤的快速检测,采用振动热成像技术,对复合材料在疲劳、冲击等不同作用下产生的损伤进行了检测研究。分析了瞬时性和周期性两种内生热源形式下平板构件的表面温度场分布。基于有限元法计算了表面裂纹、浅表面分层及内部脱粘等不同类型损伤在振动激励条件下的生热情况。在设计制作复合材料疲劳裂纹试件和冲击损伤试件的基础上,利用超声波发生器和红外热像仪开展了试验研究。结果表明:振动热成像技术能够快速准确地检测到复合材料表面及浅表面的紧贴型损伤;通过红外序列图中热斑形状可判断损伤的类型。 相似文献
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GaN films were grown on sapphire substrates by laser-induced reactive epitaxy. The domains in the films were determined to be the Ga-polarity by the convergent beam electron diffraction (CBED) technique, while the adjacent matrices had the N-polarity. The domain boundaries were characterized as inversion domain boundaries (IDBs). An atomic structure of the IDB is proposed based on high-resolution transmission electron microscopy (HRTEM) investigations. Control of the polarity of GaN/sapphire films was achieved by suppressing the formation of IDBs with an interlayer of AlGaN and a low-temperature GaN buffer layer. 相似文献
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采用基于密度泛函理论的第一性原理方法,研究了本征石墨烯(P-graphene)和氧掺杂的石墨烯(O-graphene)吸附钠原子的吸附能、电荷密度、态密度以及储存量.结果表明,两种石墨烯中,钠原子的最佳吸附位置都是H位. O-graphene对钠原子的吸附能是-4.347 eV,比P-graphene对钠原子的吸附能(-0.71 eV)低很多. O-graphene中钠原子与氧原子和碳原子发生轨道杂化,P-graphene中没有杂化现象. O-graphene能够吸附10个钠原子,较P-graphene多.因此,O-graphene更适合储钠. 相似文献
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A. K. Pavlov V. M. Ostryakov A. A. Pavlov G. I. Vasilyev M. A. Vdovina 《Bulletin of the Russian Academy of Sciences: Physics》2013,77(5):596-598
Detection of the organic substance on the Mars is one of the main targets of the current and future Martian landing missions. In this study, we calculated the ionization of the Martian soil by solar and Galactic cosmic rays at its various depths. It is shown that complex organic molecules (biomarkers) with a mass more than 300 a.m.u. at a depth of ≤10 cm degrade for a time less than one milliard years. 相似文献
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为研究出更合理的光学显微镜机械结构设计原理及相关规范,基于人机工程学的设计理念,参阅我国光学显微镜的相关规范,对金相显微镜的机械结构——载物台、调焦装置、物镜转换器等的设计进行了分析。从安全可靠和舒适经济的角度,提出了适合金相显微镜机械结构的人性化设计方法和原则。该设计原则和机械结构设计尺寸的计算公式具有普遍适用性。 相似文献
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T. Frederico 《Few-Body Systems》2015,56(11-12):725-725
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《Surface science》1985,154(1):L215-L219
The high-temperature phase of ethylene on surfaces of Pt powder has been studied by proton-NMR in order to decide whether the surface species is the ethylidyne species (CH3C) proposed by Kesmodel et al. or the multiple-bonded species (CH2CH) proposed by Demuth. The observed NMR spectrum is not attributable to CH3-groups on the surfaes, but can be interpreted as the superposition of two signals, one originating from CH2-groups and the other from CH-groups. In other words, the results suggest that the surface species is the multiple-bonded species. 相似文献
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