2 papers
cond-mat.mtrl-sci2020
Nb Implanted BaO as a Support for Gold Single Atoms
Debolina Misra, Satyesh K. Yadav
Using first-principles modelling based on density functional theory we show that oxides implanted with transition metal can act as support for Au single atoms, which are stable aga…
cond-mat.mtrl-sci2019
Stability of Implanted Transition Metal Dopants in Rock-salt Oxides
Debolina Misra, Satyesh K. Yadav
Transition metals (TMs) implanted in oxides with rock-salt crystal structures (for example MgO and BaO) are assumed to substitute cations (Mg in case of MgO) from the lattice sites…