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首页> 外文期刊>The journal of physical chemistry, C. Nanomaterials and interfaces >Low-Temperature Heterolytic Adsorption of H-2 on ZnO(10(1)over-bar0) Surface
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Low-Temperature Heterolytic Adsorption of H-2 on ZnO(10(1)over-bar0) Surface

机译：ZnO上的低温异化物吸附H-2（10（1）覆盆子）表面

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摘要

The interaction of molecular hydrogen with a ZnO(10 (1) over bar0) surface at cryogenic conditions was investigated by in situ scanning tunneling microscopy (STM) experiments combined with density functional theory (DFT) calculations. The H-2 molecules were found splitting at an extremely low temperature similar to 20 K and growing into a novel one-dimensional chain structure along the [0001] direction, which extends as long as several hundred nanometers and possesses substantial thermal stability up to similar to 220 K. Both high-resolution STM images and DFT calculations reveal that the initial H-2 splitting occurs through a physisorbed precursor state followed by forming heterolytic bonds to the Zn and O ions belonging to two neighbored Zn-O pairs of the ZnO(10 (1) over bar0) surface. These findings have shed new light on the active roles of ZnO in various hydrogen-related techniques as well as in hydrogenation reactions.
机译：通过原位扫描隧道显微镜（STM）实验，研究了在低温条件下与ZnO（10（1）上律浆段）表面的相互作用，与密度泛函理论（DFT）计算相结合。 发现H-2分子在类似于20k的极低温度下分裂，并沿着沿[0001]方向成长为新的一维链结构，该方向延伸为几百纳米并具有相似的热稳定性 对于220K。高分辨率STM图像和DFT计算揭示了初始H-2分裂通过物吸收的前体状态发生，然后形成属于ZnO的两个邻近Zn-O对的Zn和O离子的异解键（ 10（1）在Bar0上）表面。 这些发现在各种氢相关技术以及氢化反应中具有ZnO的活性作用的新光。

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  • 作者

    Shi Hong; Yuan Hao; Li Zhe; Wang Wenyuan; Li Zhenyu; Shao Xiang;

  • 作者单位

    Univ Sci &

    Technol China Dept Chem Phys CAS Key Lab Urban Pollutant Convers Hefei 230026 Anhui Peoples R China;

    Univ Sci &

    Technol China HFNL Hefei 230026 Anhui Peoples R China;

    Univ Sci &

    Technol China Dept Chem Phys CAS Key Lab Urban Pollutant Convers Hefei 230026 Anhui Peoples R China;

    Univ Sci &

    Technol China Dept Chem Phys CAS Key Lab Urban Pollutant Convers Hefei 230026 Anhui Peoples R China;

    Univ Sci &

    Technol China HFNL Hefei 230026 Anhui Peoples R China;

    Univ Sci &

    Technol China Dept Chem Phys CAS Key Lab Urban Pollutant Convers Hefei 230026 Anhui Peoples R China;

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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;
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