57 citations · 57 across the 1 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2008★ 57 cited
A comparative study of CO adsorption on flat, stepped and kinked Au surfaces using density functional theory
F. Mehmood, A. Kara, T. S. Rahman +1
Our ab initio calculations of CO adsorption energies on low miller index (111), (100), stepped (211), and kinked (532) gold surfaces show a strong dependence on local coordination…
cond-mat.mtrl-sci2005
C and S induces changes in the electronic and geometric structure of Pd(533) and Pd(320)
Faisal Mehmood, Sergey Stolbov, Talat S. Rahman
We have performed ab initio electronic structure calculations of C and S adsorption on two vicinal surfaces of Pd with different terrace geometry and width. We find both adsorbates…
cond-mat.mtrl-sci2005
First principles study of the electronic and geometric structure of Cu(532)
Faisal Mehmood, Abdelkader Kara, Talat S. Rahman
Using density functional theory with the generalized gradient approximation and ultra-soft pseudo-potentials, we have calculated structural relaxations of the Cu(532) surface which…