Optimal Electron Density Mechanism for Hydrogen on the Surface and at a Vacancy in Tungsten

• 来源期刊: 中国物理快报（英文版）
• 年，卷（期）: 2012,（7）
• 页码范围: 210-213
• 页数: 4页
• 语种: 英文
• DOI: 10.1088/0256-307X/29/7/077101

摘要

In terms of first-principles investigation of H-tungsten (W) interaction,we reveal a generic optimal electron density mechanism for H on W(110) surface and at a vacancy in W.Both the surface and vacancy internal surface can provide a quantitative optimal electron density of～0.10electron/(A)3 for H binding to make H stability.We believe that such a mechanism is also applicable to other surfaces such as W( 100) surface because of the (100) surface also providing an optimal electron density for H binding,and further likely actions on other metals.