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The relationship between crystalline disorder and electronic structure of Pd nanoparticles and their hydrogen storage properties

机译：Pd纳米粒子结晶紊乱与电子结构的关系及其储氢性能

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摘要

We investigated the relationship between crystalline disorder and electronic structure deviations of Pd nanoparticles (NPs) and their hydrogen storage properties as a function of their particle diameter (2.0, 4.6 and 7.6 nm) using various synchrotron techniques. The lattice constant of the 2.0 nm-diameter Pd NPs was observed to be larger than that of the 4.6 or 7.6 nm-diameter Pd NPs. With increasing particle diameter the structural ordering was improved, the lattice constant and atomic displacement were reduced and the coordination numbers increased, as determined using high-energy X-ray diffraction, reverse Monte Carlo modelling and X-ray absorption fine structure spectroscopy. The structural order of the core part of the larger NPs was also better than that of the smaller NPs. In addition, the bond strength of the Pd-H formation increased with increasing particle diameter. Finally, the surface order of the Pd NPs was related to enhancement of the hydrogen storage capacity and Pd-H bond strength.
机译：我们研究了使用各种同步技术（2.0,4.6和7.6nm）的Pd纳米颗粒（NPS）及其储氢性能的结晶紊乱和电子结构偏差之间的关系。观察到2.0nm直径Pd NP的晶格常数大于4.6或7.6nm直径Pd nps的晶格常数。随着粒径的增加，改善了结构排序，减少了晶格常数和原子位移，并且使用高能X射线衍射，反向蒙特卡罗建模和X射线吸收细结构光谱测定，配位数增加。较大NP的核心部分的结构顺序也比较小的NPS更好。另外，PD-H形成的键合强度随着粒径的增加而增加。最后，PD NP的表面顺序与储氢容量和PD-H粘合强度的增强有关。

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  • 来源
    《RSC Advances》 |2019年第37期|共7页
  • 作者

    Seo Okkyun; Kim Jaemyung; Tayal Akhil; Song Chulho; Kumara L. S. R.; Dekura Shun; Kobayashi Hirokazu; Kitagawa Hiroshi; Sakata Osami;

  • 作者单位

    Natl Inst Mat Sci Synchrotron Xray Grp Res Ctr Adv Measurement &

    Characterizat 1-1-1 Kouto Sayo Hyogo 6795148 Japan;

    Natl Inst Mat Sci Synchrotron Xray Grp Res Ctr Adv Measurement &

    Characterizat 1-1-1 Kouto Sayo Hyogo 6795148 Japan;

    Natl Inst Mat Sci Synchrotron Xray Grp Res Ctr Adv Measurement &

    Characterizat 1-1-1 Kouto Sayo Hyogo 6795148 Japan;

    Natl Inst Mat Sci Synchrotron Xray Grp Res Ctr Adv Measurement &

    Characterizat 1-1-1 Kouto Sayo Hyogo 6795148 Japan;

    Natl Inst Mat Sci Synchrotron Xray Grp Res Ctr Adv Measurement &

    Characterizat 1-1-1 Kouto Sayo Hyogo 6795148 Japan;

    Kyoto Univ Grad Sch Sci Div Chem Sakyo Ku Kitashirakawa Oiwake Cho Kyoto 6068502 Japan;

    Kyoto Univ Grad Sch Sci Div Chem Sakyo Ku Kitashirakawa Oiwake Cho Kyoto 6068502 Japan;

    Kyoto Univ Grad Sch Sci Div Chem Sakyo Ku Kitashirakawa Oiwake Cho Kyoto 6068502 Japan;

    Natl Inst Mat Sci Synchrotron Xray Grp Res Ctr Adv Measurement &

    Characterizat 1-1-1 Kouto Sayo Hyogo 6795148 Japan;

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  • 正文语种 eng
  • 中图分类 化学;
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