11 citations · 13 across the 6 of their papers we have counts for
4 papers · 1 filter
Cluster Diffusion and Coalescence on Metal Surfaces: applications of a Self-learning Kinetic Monte-Carlo method
Talat S. Rahman, Abdelkader Kara, Altaf Karim +1
The Kinetic Monte Carlo (KMC) method has become an important tool for examination of phenomena like surface diffusion and thin film growth because of its ability to carry out simul…
Comparative study of adatom manipulation on several fcc metal surfaces
Chandana Ghosh, Abdelkader Kara, Talat S. Rahman
For a set of fcc metals our total energy calculations, based on many body potentials, show that activation barriers for lateral manipulation of an adatom at a step edge depend on t…
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…
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…