28 citations · 83 across the 7 of their papers we have counts for
7 papers
Stress balance in nano-patterned N/Cu(001) surfaces
S. Hong, T. S. Rahman, E. Z. Ciftlikli +1
We employ helium atom scattering (HAS) and density functional theory (DFT) based on the ultrasoft pseudopotential scheme and the plane-wave basis set to investigate the strain and…
Selective Oxidation of Ammonia on RuO2(110): a combined DFT and KMC study
Sampyo Hong, Altaf Karim, Talat S. Rahman +2
We have used a combination of density functional theory (DFT) and kinetic Monte Carlo (KMC) simulations to calculate the reaction rates for the selective oxidation of ammonia on Ru…
First-principles calculations of the dispersion of surface phonons of the unreconstructed and reconstructed Pt(110)
Sampyo Hong, Talat S. Rahman, Rolf Heid +1
We present result of calculations of the surface phonon dispersion curves for Pt(110) using density functional theory in the local density approximation and norm conserving pseudop…
On the origin of the C induced reconstruction of Ni(001)
Sergey Stolbov, Sampyo Hong, Abdelkader Kara +1
First principles calculations of the geometric and electronic structures have been performed for two coverages (0.25 ML and 0.5 ML) of C on Ni(001) to understand the mechanism of t…
Insights from calculated phonon dispersion curves for an overlayer of H on Pt(111)
Sampyo Hong, Talat S. Rahman, Rolf Heid +1
We have calculated the dispersion curves of H vibrational modes on Pt(111), using first-principles, total energy calculations based on a mixed-basis set and norm-conserving pseudop…
First-principles calculations of the phonon dispersion curves of H on Pt(111)
Sampyo Hong, Talat S. Rahman, Rolf Heid +1
We have calculated the surface phonon dispersion curves for H on Pt(111), using first-principles, total energy calculations based on a mixed-basis set and norm-conserving pseudopot…