3 papers
cond-mat.mtrl-sci2008
Lowering Effective Coordination Promotes Adsorption of NO on Rh(100) and Rh/MgO(100)surfaces
Raghani Pushpa, Prasenjit Ghosh, Shobhana Narasimhan +1
We have studied the adsorption of NO, and the coadsorption of N and O, on four physical and hypothetical systems: unstrained and strained Rh(100) surfaces and monolayers of Rh atom…
cond-mat.other2007
Bond Stiffening in Nanoclusters and its Consequences
Raghani Pushpa, Umesh Waghmare, Shobhana Narasimhan
We have used density functional perturbation theory to investigate the stiffness of interatomic bonds in small clusters of Si, Sn and Pb. As the number of atoms in a cluster is dec…
cond-mat.mtrl-sci2002
The Reconstruction of Pt(111) and Domain Patterns on Close-packed Metal Surfaces
Shobhana Narasimhan, Raghani Pushpa
We have studied the reconstruction of Pt(111) theoretically using a two-dimensional Frenkel-Kontorova model for which all parameters have been obtained from ab initio calculations.…