Preparation and properties of the SmOx/Rh(100) model surface

The preparation of SmO_x/Rh(100) and CO adsorption on this model surface have been investigated with Auger electron spectroscopy (AES), X-ray photoelectron spectroscopy (XPS) and temperature programmed desorption spectroscopy (TDS). The oxygen adsorption on the SmRh alloy surface leads to the aggregation of Sm on the surface. The thermal treatment of this oxidized surface induces the further agglomeration of SmO_x on the Rh(100) surface. Compared with CO TDS on the clean Rh(100) surface, three additional CO desorption peaks can be observed at 176, 331 and 600 K on the SmO_x/Rh(100) surface. The CO desorption peak at 176 K may originate from CO adsorbed on SmO_x islands, while the appearance of the CO adsorption peaks at 331 and 600 K, depending on the oxidation state of Sm, is attributed to CO species located at the interface of SmO_x/Rh(100).     

Structure and properties of samarium overlayer and Sm/Rh surface alloy on Rh(100)

The structure and properties of Sm overlayer and Sm/Rh surface alloy have been investigated with Auger electron spectroscopy (AES), low energy electron diffraction (LEED), X-ray photoelectron spectroscopy (XPS), and temperature programmed desorption spectroscopy (TDS). The growth of Sm on Rh(100) at room temperature (RT) appears following the Stranski-Krastanov growth mode and only the trivalent state Sm is observed from XPS results. Thermal treatment of the Sm film at 900 K leads to the formation of ordered surface alloy which shows the c(5√2 × √2)R45° and c(2×2) LEED patterns. Annealing the Sm film at temperature above 400 K makes the binding energy (B.E.) of Sm 3d_5/2 shift to higher energy by 0.7 eV, which indicates charge transfer from Sm to Rh(100) substrate, causing the increase of CO desorption temperature.     

CO吸附于PtRu合金(100)面上的DFT理论研究

采用DFT方法对CO吸附在PtRu(100)表面的吸附行为进行系统性的研究,分析了键参数及电子结构．结果表明Ru的加入确实能削弱CO在合金上的吸附并且活化CO分子．当Ru的含量达50％时,PtRu催化剂抗CO中毒能力最强．另外CO分子在合金表面的吸附还和其吸附位及表面原子排布有关,CO吸附在Pt上较吸附于Ru上更强,吸附位周围分布Ru较分布Pt更促进CO分子的活化．     

正己烷在CaCO3(100)面吸附的第一性原理研究

致密油在储层多孔介质中的吸附研究多以定量的实验研究为主,定性的机理研究较少。以正己烷为对象,从原子分子层面定性研究其在碳酸钙表面的吸附能力,为解释致密油在储层岩石基质上的吸附性提供了有力依据。采用基于密度泛函理论的第一性原理方法,计算了C_6H_(14)分子在CaCO_3(100)面的吸附能,对比分析了吸附前后的物理结构和电子态密度。结果表明:C_6H_(14)分子在B11位吸附最稳定,吸附能为-0.782 4 eV,吸附后键长键角变化率均小于1%,是一种弱化学吸附。不同吸附位的能量差值很小,仅为0.017 8 e V,C_6H_(14)分子容易在CaCO_3表面发生稳定流动。吸附后,C_6H_(14)分子的电子态密度向低能量区域整体偏移约3.1 e V,而CaCO_3(100)面的电子态密度曲线基本重合,吸附作用对C_6H_(14)分子的电子结构影响显著,对CaCO_3(100)面电子结构影响甚微。     

Equilibrium geometric structure and electronic properties of Cl and H2O co-adsorption on Fe (100) surface

Based on the first principles density functional theory, the equilibrium geometric structure and surface electronic properties of Cl and H₂O co-adsorption on the Fe (100) surface are investigated. The results indicate that the optimal adsorption site for Cl and H₂O co-adsorption on the Fe (100) surface is the location of Cl at the bridge site and H₂O at the top site. Compared with the Fe (100)/H₂O adsorption system, remarkable changes in geometric structure and electronic properties occur, owing to the presence of Cl in the Fe (100)/(H₂O+Cl) adsorption system. The analysis of equilibrium geometric structure and surface electronic properties shows that the presence of Cl in the Fe (100)/(H₂O+Cl) adsorption system unstablizes the Fe surface, making it easy to lose electrons. Supported by the National Natural Science Foundation of China (Grant Nos. 50675112, 50721004) and Research Fund for the Doctoral Program of Higher Education (Grant No. 20070003103)     

超临界CO2绿色萃取人参皂苷Rh1、人参皂苷Rh2的研究

运用超临界CO2萃取技术从人参总次苷中萃取人参皂苷Rh1、人参皂苷Rh2。以不同溶剂为夹带剂,采用超临界CO2对人参皂苷Rh1、人参皂苷Rh2的萃取进行研究。通过高效液相色谱测定产物得率。在萃取压力为30MPa、温度45℃、时间3h、乙酸乙酯为夹带剂(10mL乙酸乙酯作为固态夹带剂,290mL乙酸乙酯作为动态夹带剂)条件下,超临界CO2萃取出人参皂苷Rh1、人参皂苷Rh2。人参皂苷的得率随加入的乙酸乙酯量的增大先增大后基本不变,随萃取压力、萃取温度的升高先增大后减小。在此最佳条件下,人参皂苷Rh1和人参皂苷Rh2的得率分别为7.33%和14.69%。     

Chemical components and microtopography of （100） surface for orthopyroxene

XPS and AES depth composition profile studies were carried on to understand chemical components of (100) surfaces for Chengde hypersthene from Hebei Province, China, and Bamble enstatite from Norway. Also, to understand the microtopography of them the AFM observation was carried on. There are obvious differences between chemical components of (100) surface and those of mineral inner. Compared with inner mineral Si^4 proportion in total cations has no distinguished variation, whereas Ca^2 and Al^3 proportions increase respectively, and Mg^2 proportion decreases. AES depth composition prof‘de of 2000s shows that at a depth of 70 nm the atomic concentrations (%) for each element (except Si in Chengde hypersthene) slightly go up and down, but the average values have no obvious change. On the profile, the atomic concentrations (%) of Al and Si for Chengde hypersthene present a compensated relationship. Obviously, the Si and Al must have the relationship of isomorphic replacement on the (100) surface. The image of AFM shows that there is hillock growth on the (100) surface in the layered form of the polygon with 0 to several hundreds nm in thickness. The growth is a sort of secondary phyllosilicate minerals. The observation of the above-mentioned phenomenon and the recognition on the above regularities are benefit for understanding of the mechanism for weathering and water-rock reactions.     

Pt_6/BaO(100)界面性质的第一性原理研究

利用基于密度泛函理论的第一性原理方法研究了Pt6/BaO(100)界面的性质.对界面几何结构和电子结构的分析表明,铂原子与表面氧原子之间有很强的共价相互作用,这种相互作用使Pt6/BaO(100)界面非常稳定,与实验结果的分析相一致.     

Electronic structures of the oxygenated diamond （100） surfaces

Diamond is a kind of nonmetal material with unique physical and chemical properties. It is potentially useful to various applications in electronics, such as electron emitters, Schottky diodes[1-3]. The diamond films ob- tained by chemical vapor depositio…     

镍镀层材料表面硬脂酸配合物膜的电化学和光电子能谱研究

通过加速化学和电化学腐蚀实验(LSV)比较了长链脂肪酸和杂环化合物等一系列有机缓蚀剂在镍镀层材料表面形成的配合物膜的耐蚀性,结果表明,硬脂酸在镍镀层材料表面形成的膜耐蚀效果最佳.用光电子能谱(XPS和AES)研究了配合物膜层的结构和性能,以及在金属表面的成键特征和波谱变化,探讨了配合物膜的组成、化学状态和缓蚀机理.硬脂酸分子中COO-中的氧原子与镍镀层表面发生界面反应形成硬脂酸配合物膜,膜由镍的氧化物和镍的硬脂酸配合物组成,其中Ni和O分别呈 2、 3和-2价,配合物膜的结构可表示为Ni-硬脂酸/NimOn/Ni,各元素的相对原子百分浓度(A.C.%)分别为Ni65.6%、C23.5%、O10.7%,该膜层厚度约为12.5nm.     

CH3CSNH2／NH4OH钝化GaAs（100）表面的XPS表征

一种新的含硫化合物ＣＨ３ＣＳＮＨ２／ＮＨ４ＯＨ溶液被用来钝化ＧａＡｓ（１００）表面．应用Ｘ射线光电子谱（ＸＰＳ）表征了该钝化液处理的ＧａＡｓ（１００）表面的成键特性和电子态．结果表明，经过处理的ＧａＡｓ（１００）表面，能有效地消除Ｇａ和Ａｓ的氧化物，并且Ｓ既与Ａｓ成键也与Ｇａ成键，形成了Ｓ与ＧａＡｓ的新界面，这标志着ＣＨ３ＣＳＮＨ２／ＮＨ４ＯＨ溶液对ＧａＡｓ（１００）表面具有明显的钝化作用．钝化表面退火处理后，Ａｓ的硫化物不稳定，进一步与ＧａＡｓ衬底反应，生成稳定的ＧａＳ钝化层，此种钝化液可直接应用于半导体器件钝化工艺对ＧａＡｓ表面处理     

PET/丙烯腈接枝膜阻氧性能的研究

对聚对苯二甲酸乙二醇酯(PET)/丙烯腈（AN）接枝膜的阻氧性能进行了研究。结果表明，随着接枝率的增加透氧率（P）下降，P从4.25mL·mm/(m²·d)下降到2.49mL·mm/(m²·d)。接枝率相同时，低温下得到的接枝膜的阻氧性能更好。在PET膜表面接枝AN前后，其结晶度均为36%左右。聚合温度为90℃时，接枝链颗粒小、分布均匀；聚合温度为95℃时，接枝链颗粒大、分布不均匀。此外，高温和高湿度的环境中，接枝膜的阻氧性能均好于空白膜。     

氯在Cu(100)面上的吸附及其对氧共吸附的影响的电子能谱研究

利用UPS、XPS、AES、△φ和热脱附等方法,研究了室温、低分压下氯在Cu(100)面上的吸附行为以及它对氧共吸附的影响。氯解离化学吸附在铜表面上,其吸附过程包括初始快速吸附,然后缓慢增加至饱和两个步骤。吸附引起铜表面轻微氧化,但表面没有重排,即使升温氯原子也没有进一步向下扩散,热脱附的唯一产物是氯原子。室温下,氯的预吸附降低甚至完全阻止了氧的接续吸附;而预吸附氧至饱和也不会阻碍氯的接续吸附,氯的接续吸附促使氧原子进入体相和铜原子向表层扩散。     

大理州Rh(D)阴性献血者资料库的建立健全及应用

目的:建立健全Rh(D)阴性献血者资料库和实体库,确保Rh(D)阴性患者能够及时、有效的输注安全的Rh(D)阴性血液及血液制品。方法:献血前初筛采用玻片法,献血后检测采用微量板法,确认试验采用试管法。结果:通过对48 884份血样的筛查,共筛选到86名Rh(D)阴性献血者,未筛出不规则抗体。结论:大理州Rh(D)阴性血型资料库已建立,下一步的工作重点是扩充资料库,健全实体库,招募更多的献血者,保证临床用血的及时有效。     

Synchrotron radiation photoemission study on growth of gadolinium film over Ni(110) surface

The growth of Gd film on Ni (110) surface was studied by synchrotron radiation photoemission spectroscopy and XPS techniques. It is revealed that in the coverage range of 0–0.22 nm Gd4f core level showed a single-peak structure, therefore Gd film grows over Ni(110) in the layer-by-layer mode. However, when Gd coverage was larger than 0.22 nm the Gd4f peak turned gradually into double-peak and a double-peak structure with 2.3 eV separation was formed at 1.51 nm, meanwhile similar phenomenon was observed in the Gd4d XPS spectra. It is suggested that the double-peak structure of Gd4f was derived from the growth of Gd film in cluster mode and the Gd atomic clusters may exhibit different electronic states from Gd metal owing to their special structures. The Gd4f double-peak e-volved into a single-peak on annealing at 600 K, implying that Gd clusters are thermodynamically unstable.     

共聚醚P（E－CO－T）及其与N－100固化后的聚醚聚脲聚氨酯的热分解性能

采用热失重分析法考察了端羟基环氧乙烷／四氢呋喃共聚醚及其与Ｎ－１００固化后的聚醚聚脲聚氨酯胶片的热分解性能．讨论了增塑剂（邻苯二甲酸二丁酯、硝化甘油和１，２，４－丁三醇三硝酸酯混合物）、固体填料（铝粉、高氨酸铵和奥克托今）以及助剂（碳黑、硝化纤维素和健合剂）对聚醚聚脲聚氨酯胶片热分解性能的影响．结果表明共聚醚在惰性环境中于２００℃左右开始分解．抗氧剂（２，６－二叔丁基－４－甲基酚）能有效提高共聚醚的分解稳定性；含增塑剂、固体填料和助剂的聚氨酯胶片的热分解性能以及抗氧剂的稳定效果因增塑剂、填料和助剂的不同而有较大差别．     

FexPt100-x取向薄膜的结构与磁性

用电子束沉积法在加热到100℃的MgO（001）基板上生长了50nm厚的FexPt100-x取向薄膜,原子比成分范围为x=[10,85].在500℃进行保温2h的原位热处理后,分析样品的结构及沿面内和垂直于薄膜方向施加磁场的磁性行为.结果表明,随着x的增加,易磁化轴的方向在沿平行于膜面方向和垂直于膜面方向之间反复变化,取决于内秉的磁晶各向异性与外秉的形状各向异性之间的竞争.当x=60时,由于薄膜发生不完全的A1→L10相转变,形成了A1软磁相与L10硬磁相的复合体,样品沿平行和垂直于膜面方向磁化的矫顽力都达到5kOe（1Oe=79.5775Am-1）以上.沿膜面方向磁化时,矫顽力高于软磁相的磁晶各向异性场,并且正负向磁化的剩余磁化强度明显不相等.采用三磁畴软磁相模型,结合硬磁/软磁交换耦合作用,对此进行了解释.这种硬磁/软磁复合材料适合于用来制作磁力显微镜的各向同性高矫顽力探针.     

氟化物溶液腐蚀后硅表面形态的STM与XPS研究

利用扫描隧道显微技术(STM)和X-射线光电子能谱(XPS)技术。研究了Si(111)在几种不同比例的NH4F-HCl溶液中被腐蚀后的表面形态及洁净度。通过分析表面的STM图像与XPS谱图，表明在较高pH值的NH4F-HCl 溶液中被腐蚀的Si(111)表面粗糙度较小，且表面洁净度及化学稳定性较好。