69 citations · 170 across the 6 of their papers we have counts for
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A comparative study of the energetics of CO on stepped and kinked Cu surfaces using density functional theory
Faisal Mehmood, Abdelkader Kara, Talat S. Rahman +1
Our ab initio calculations of CO adsorption on several low and high miller index surfaces of Cu show that the adsorption energy increases as the coordination of the adsorption site…
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…
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…