most citedFirst-principles calculations of the magnetism of FeOH

1 citations · 2 across the 3 of their papers we have counts for

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cond-mat.mtrl-sci2005★ 1 cited

First Principles Study of Adsorption, Diffusion and Dissociation of NH_3 on Ni and Pd Surfaces

Sergey Stolbov, Talat S. Rahman

Using the plane wave pseudopotential method within the density functional theory with the generalized gradient approximation for exchange and correlation potential, we have calcula…

cond-mat.mtrl-sci2004

First-principles study of the origin of alkali promotion of reactivity of metal surfaces

Sergey Stolbov, Talat S. Rahman

Alkali metals are known as efficient promoters in heterogeneous catalysis but the nature of this phenomenon is as yet not understood. Our first principles calculations reveal a hug…