Abstract
Abstract
In this work we investigated the adsorption of oxygen and the co-adsorption of oxygen and hydrogen on the (110) surface of tungsten by means of Density Functional calculations. The absorption, recombination and release mechanisms of hydrogen across the (110) surface with oxygen are further established at saturation and above saturation of the surface. It is found that hydrogen and oxygen both adsorb preferentially at three-fold sites. The saturation limit was determined to one monolayer in adsorbate. Oxygen is found to lower the binding energy of hydrogen on the surface and to lower the activation barrier for the recombination of molecular hydrogen. Finally, as on the clean surface, oversaturation in adsorbate is shown to lower both activation barriers for hydrogen absorption and for molecular hydrogen recombination on the (110) surface of tungsten.
Funder
Agence Nationale de la Recherche
Subject
Condensed Matter Physics,Nuclear and High Energy Physics
Cited by
3 articles.
订阅此论文施引文献
订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献