Hydrogen diffusion out of ruthenium—an ab initio study of the role of adsorbates,Physical Chemistry Chemical Physics

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Hydrogen diffusion out of ruthenium—an ab initio study of the role of adsorbates
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2020/03/24 , DOI: 10.1039/d0cp00448k
Chidozie Onwudinanti _{1,

2,

3,

4,

5} , Geert Brocks _{2,

3,

4,

5,

6} , Vianney Koelman _{1,

2,

3,

4,

5} , Thomas Morgan _{1,

2,

3} , Shuxia Tao _{2,

3,

4,

5,

6}

Affiliation

Hydrogen permeation into mirrors used in extreme ultraviolet lithography results in the formation of blisters, which are detrimental to reflectivity. An understanding of the mechanism via which hydrogen ends up at the interface between the top ruthenium layer and the underlying bilayers is necessary to mitigate the blistering damage. In this study, we use density functional theory to examine the ways in which hydrogen, having entered the near-surface interstitial voids, can migrate further into the metal or to its surface. We show that with hydrogen and tin adsorbed on the ruthenium surface, diffusion to the surface is blocked for interstitial hydrogen in the metal, making diffusion further into the metal more likely than out-diffusion. The dependence on surface conditions matches and confirms similar findings on hydrogen permeation into metals. This suggests control and modification of surface conditions as a way to influence hydrogen retention and blistering.

中文翻译：

氢从钌中扩散-从头开始研究被吸附物的作用

氢渗透到极紫外光刻中使用的反射镜中会形成水泡，这对反射率有害。必须了解氢最终在顶层钌层与下面的双层之间的界面处所用的机理，以减轻起泡损坏。在这项研究中，我们使用密度泛函理论来研究进入近表面空隙中的氢可以进一步迁移到金属或其表面的方式。我们表明，由于氢和锡吸附在钌表面上，金属中的间隙氢被阻止向表面扩散，从而比向外扩散更可能进一步扩散到金属中。对表面条件的依赖性与氢渗透进入金属的情况相符并证实了类似的发现。

更新日期：2020-04-15

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