Stability and electronic properties of Rh-doped ruthenium clusters and their interaction with NH3 molecule

Mouhssin Boulbazine,Abdel-Ghani Boudjahem,Salem Chaguetmi,Abdelhak Karaman

Stability and electronic properties of Rh-doped ruthenium clusters and their interaction with NH3 molecule

2019

Mouhssin Boulbazine
Abdel-Ghani Boudjahem
Salem Chaguetmi
Abdelhak Karaman

The stability and electronic properties of the Rh-doped ruthenium clusters and their reactivity towards NH3 molecule have been studied using DFT calculations with the BLYP-D3/SDD level of theory. T...

Keywords:

Computational chemistry
Ruthenium
Chemisorption
Molecule
Physical chemistry
Chemistry
Cluster (physics)
Doping
electronic properties

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