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首页> 外文期刊>Proceedings of the National Academy of Sciences of the United States of America >Observation and manipulation of subsurface hydride in Pd(111) and its effect on surface chemical, physical, and electronic properties.
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Observation and manipulation of subsurface hydride in Pd(111) and its effect on surface chemical, physical, and electronic properties.

机译：Pd（111）中地下氢化物的观察和处理及其对表面化学，物理和电子性质的影响。

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摘要

We report the observation and manipulation of hydrogen atoms beneath the surface of a Pd[111] crystal by using low-temperature scanning tunneling microscopy. These subsurface hydride sites have been postulated to have critical roles in hydrogen storage, metal embrittlement, fuel cells, and catalytic reactions, but they have been neither observed directly nor selectively populated previously. We demonstrate that the subsurface region of Pd can be populated with hydrogen atoms from the bulk by applying voltage pulses from a scanning tunneling microscope tip. This phenomenon is explained with an inelastic excitation mechanism, whereby hydrogen atoms in the bulk are excited by tunneling electrons and are promoted to more stable sites in the subsurface region. We show that this selectively placed subsurface hydride affects the electronic, geometric, and chemical properties of the surface. Specifically, we observed the effects of hydride formation on surface deformation and charge and on adsorbed hydrogen onthe surface. Hydrogen segregation and overlayer vacancy ordering on the Pd[111] have been characterized and explained in terms of the surface changes attributable to selective hydrogen occupation of subsurface hydride sites in Pd[111].
机译：我们报告使用低温扫描隧道显微镜观察和操纵Pd [111]晶体表面下的氢原子。假定这些地下氢化物位点在氢存储，金属脆化，燃料电池和催化反应中起关键作用，但以前既未直接观察到也未选择性地填充它们。我们证明，通过施加来自扫描隧道显微镜尖端的电压脉冲，Pd的地下区域可以填充大量氢原子。用非弹性激发机理解释了该现象，其中，主体中的氢原子被隧穿电子激发，并被促进至地下区域中更稳定的位置。我们表明，这种选择性放置的地下氢化物会影响表面的电子，几何和化学性质。具体而言，我们观察到了氢化物形成对表面变形和电荷以及对表面吸附的氢的影响。 Pd [111]上的氢偏析和上层空位有序化并根据表面变化来归因于Pd [111]中地下氢化物位点的选择性氢占据。

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