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首页> 外文期刊>Physical review >Normal-incidence x-ray standing-wave determination of the adsorption geometry of PTCDA on Ag(111): Comparison of the ordered room-temperature and disordered low-temperature phases
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Normal-incidence x-ray standing-wave determination of the adsorption geometry of PTCDA on Ag(111): Comparison of the ordered room-temperature and disordered low-temperature phases

机译：正入射x射线驻波法测定PTCDA在Ag（111）上的吸附几何形状：有序室温相和无序低温相的比较

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摘要

Normal incidence x-ray standing wave (NIXSW) experiments have been performed for monolayers of 3,4,9,10-perylene-tetracarboxylic-dianhydride (PTCDA) adsorbed on the Ag(111) surface. Two phases were analyzed: the low-temperature phase (LT phase), which is disordered and obtained for deposition at substrate temperatures below 150 K, and the ordered phase, which is obtained for deposition at room temperature (RT phase). From the NIXSW analysis the vertical bonding distances to the Ag surface were obtained for the averaged carbon atoms and the two types of chemically different oxygen atoms in the terminal anhydride groups. For the LT phase, we find about 2% (0.05 A) and 8% (0.21 A) smaller averaged bonding distances for the C and O atoms, respectively, compared to the RT phase. In both phases, the planar geometry of the free molecule is distorted; in particular, the carboxylic O atoms are closer to the surface by 0.20 A (RT) and 0.31 A (LT) with respect to the averaged C distance. The difference between the vertical bonding distances of the carboxylic and anhydride O atoms is found to be 0.32 (RT) and 0.33 A (LT). These structural parameters of the two phases are compared to those of PTCDA monolayers adsorbed on Au( 111) and Cu( 111) surfaces and are discussed in the frame of current bonding models.
机译：已对吸附在Ag（111）表面的3,4,9,10 ---四羧酸二酐（PTCDA）单层进行了法线入射x射线驻波（NIXSW）实验。分析了两个阶段：低温阶段（LT相），该阶段是无序的，用于在低于150 K的基板温度下进行沉积；以及有序相，该阶段是在室温下进行的沉积（RT相）。通过NIXSW分析，获得了末端酸酐基团中平均碳原子和两种化学上不同的氧原子到Ag表面的垂直键合距离。对于LT相，与RT相相比，我们发现C和O原子的平均键合距离分别小了约2％（0.05 A）和8％（0.21 A）。在两个阶段中，自由分子的平面几何形状都发生了扭曲。特别地，相对于平均C距离，羧基O原子更接近表面0.20A（RT）和0.31A（LT）。发现羧酸和酸酐O原子的垂直键合距离之间的差为0.32（RT）和0.33A（LT）。将这两相的这些结构参数与吸附在Au（111）和Cu（111）表面上的PTCDA单分子膜的结构参数进行了比较，并在电流键模型的框架中进行了讨论。

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  • 来源
    《Physical review》 |2010年第12期|p.125432.1-125432.12|共12页
  • 作者

    A. Hauschild; R. Temirov; S. Soubatch; O. Bauer; A. Schoell; B. C. C. Cowie; T.-L. Lee; rnF. S. Tautz; M. Sokolowski;

  • 作者单位

    Institut fuer Physikalische und Theoretische Chemie der Universitaet Bonn, Wegelerstrasse 12, 53115 Bonn, Germany;

    rnInstitut fuer Bio- und Nanosysteme 3, Forschungszentrum Juelich, 52425 Juelich, Germany Fundamentals of Future Information Technology, Juelich Aachen Research Alliance (JARA-FIT), Forschungszentrum Juelich GmbH, 52425 Juelich, Germany Jacobs University, School of Engineering and Science, P.O. Box 750761, 28725 Bremen, Germany;

    rnInstitut fuer Bio- und Nanosysteme 3, Forschungszentrum Juelich, 52425 Juelich, Germany Fundamentals of Future Information Technology, Juelich Aachen Research Alliance (JARA-FIT), Forschungszentrum Juelich GmbH, 52425 Juelich, Germany Jacobs University, School of Engineering and Science, P.O. Box 750761, 28725 Bremen, Germany;

    rnInstitut fuer Physikalische und Theoretische Chemie der Universitaet Bonn, Wegelerstrasse 12, 53115 Bonn, Germany;

    rnExperimentelle Physik II, Am Hubland, Universitaet Wuerzburg, 97074 Wuerzburg, Germany;

    rnEuropean Synchrotron Radiation Facility, Boite Postale 220, 38043 Grenoble Cedex, France;

    rnEuropean Synchrotron Radiation Facility, Boite Postale 220, 38043 Grenoble Cedex, France;

    rnInstitut fuer Bio- und Nanosysteme 3, Forschungszentrum Juelich, 52425 Juelich, Germany Fundamentals of Future Information Technology, Juelich Aachen Research Alliance (JARA-FIT), Forschungszentrum Juelich GmbH, 52425 Juelich, Germany Jacobs University, School of Engineering and Science, P.O. Box 750761, 28725 Bremen, Germany;

    rnInstitut fuer Physikalische und Theoretische Chemie der Universitaet Bonn, Wegelerstrasse 12, 53115 Bonn, Germany;

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  • 关键词

    adsorbate structure (binding sites, geometry); adsorbed layers and thin films;

    机译：吸附物结构（结合位点;几何形状）;吸附层和薄膜;

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