31 citations · 33 across the 3 of their papers we have counts for
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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…
Electron localization in pure and defective ceria by a unified LDA+U approach
Stefano Fabris, Stefano de Gironcoli, Stefano Baroni
The electronic and structural properties of pure and defective cerium oxide are investigated using a unified LDA+U approach which allows to treat the different valence states of Ce…
Effects of disorder on the optical properties of the (Zn,Mg)(S,Se) quaternary alloy
Antonino Marco Saitta, Stefano de Gironcoli, Stefano Baroni
The electronic and optical properties of (Zn,Mg)(S,Se) wide-gap solid solutions are studied using ab initio techniques and starting from the previously determined atomistic structu…