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Electronic structure investigation of biphenylene films

机译:联苯膜的电子结构研究

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摘要

Photoelectron Spectroscopy (PS) and Near-Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy have been used to investigate the occupied and empty density of states of biphenylene films of different thicknesses, deposited onto a Cu(111) crystal. The obtained results have been compared to previous gas phase spectra and single molecule Density Functional Theory (DFT) calculations to get insights into the possible modification of the molecular electronic structure in the film induced by the adsorption on a surface. Furthermore, NEXAFS measurements allowed characterizing the variation of the molecular arrangement with the film thickness and helped to clarify the substrate-molecule interaction. Published by AIP Publishing.
机译:光电子光谱(PS)和近边X射线吸收细结构(NEXAFS)光谱已经用于研究沉积在Cu(111)晶体上的不同厚度的双苯基薄膜的占用和空密度。 已经获得的结果与先前的气相谱和单分子密度泛函理论(DFT)计算进行了比较,以便在表面上诱导的膜中的分子电子结构的可能修改来实现洞察。 此外,NEXAFS测量允许表征分子布置与膜厚度的变化,并有助于阐明基材分子相互作用。 通过AIP发布发布。

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  • 来源
    《The Journal of Chemical Physics》 |2017年第5期|共7页
  • 作者单位

    Univ Aquila Dept Phys &

    Chem Sci Via Vetoio I-67100 Coppito Italy;

    Univ Trieste Dept Chem &

    Pharmaceut Sci I-34127 Trieste Italy;

    Uppsala Univ Dept Phys &

    Astron POB 516 SE-75120 Uppsala Sweden;

    Helmholtz Zentrum Berlin Inst Methods &

    Instrumentat Synchrotron Rad Res Albert Einstein St 15 D-12489 Berlin Germany;

    Uppsala Univ Dept Phys &

    Astron POB 516 SE-75120 Uppsala Sweden;

    CNR IOM SS 14 Km 163-5 I-34149 Trieste Basovizza Italy;

    CNR ISM SS 14 km 163-5 I-34149 Trieste Basovizza Italy;

    Uppsala Univ Dept Phys &

    Astron POB 516 SE-75120 Uppsala Sweden;

    Univ Aquila Dept Phys &

    Chem Sci Via Vetoio I-67100 Coppito Italy;

    Uppsala Univ Dept Phys &

    Astron POB 516 SE-75120 Uppsala Sweden;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 物理化学(理论化学)、化学物理学;
  • 关键词

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