35 citations · 153 across the 13 of their papers we have counts for
4 papers · 1 filter
Co-adsorption mechanism drives CO oxidation on defective ZnS
P. R. A. de Oliveira, C. Codeço, M. G. Menezes +3
Reactivity on wide-bandgap semiconductor surfaces relies critically on the generation of active sites. In the case of CO oxidation, however, the mere presence of defects is insuffi…
Unveiling the multi-level structure of midgap states in Sb-doped MoX (X = S, Se, Te) monolayers
Marcos G. Menezes, Saif Ullah
In this study, we use DFT calculations to investigate the electronic and structural properties of MoX (X = S, Se, Te) monolayers doped with substitutional Sb atoms, with a cent…
Electronic properties of substitutional impurities in graphene-like CN, -CN, and -CN
Saif Ullah, Pablo A. Denis, Marcos G. Menezes +2
We study the electronic and structural properties of substitutional impurities of graphenelike nanoporous materials CN, -, and -CN by means of density functiona…
Electronic and structural properties of vacancies and hydrogen adsorbates on trilayer graphene
Marcos G. Menezes, Rodrigo B. Capaz
Using ab initio calculations, we study the electronic and structural properties of vacancies and hydrogen adsorbates on trilayer graphene. Those defects are found to share similar…