Sergey Stolbov

most citedFirst-principles calculations of the magnetism of Fe

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

collaborators

3 papers

cond-mat.mes-hall2005★ 1 cited

First-principles calculations of the magnetism of Fe $_{2}$ O $_{2}$ H $_{2}$

Sergey Stolbov, Richard A. Klemm, Talat S. Rahman

By expanding the wave function in plane waves, we use the pseudopotential method of density functional theory within the generalized gradient approximation to calculate the effecti…

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…

First-principles calculations of the magnetism of Fe2​O2​H2​

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

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

First-principles calculations of the magnetism of Fe $_{2}$ O $_{2}$ H $_{2}$