XU, L.; XIAO, H. Y.; ZU, X. T. - In: Surface Review and Letters (SRL) 12 (2005) 05, pp. 809-817
The adsorption of hydrogen atoms on the Ta(001)(1 × 1) surface is studied by first-principles density functional calculations within the generalized gradient approximation. It turns out that at 1 ML, coverage bridge site is energetically preferred over three-fold hollow site. This result does...