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Charge transfer, bonding conditioning and solvation effect in the activation of the oxygen reduction reaction on unclustered graphitic-nitrogen-doped graphene

Ferre Vilaplana, Adolfo; Herrero, Enrique (Royal Society of Chemistry, 2015-05)

The monodentate associative chemisorption of molecular oxygen on unclustered graphitic-nitrogen-doped graphene requires two nitrogen dopants per activated molecule. Significant charge transfers fromregions corresponding ...
MIL-101 promotes the efficient aerobic oxidative desulfurization of dibenzothiophenes

Gómez Paricio, Adrián; Santiago Portillo, Andrea; Navalón Oltra, Sergio; Concepción Heydorn, Patricia; Alvaro Rodríguez, Maria Mercedes; García Gómez, Hermenegildo (Royal Society of Chemistry, 2016)

[EN] MIL-101 promotes aerobic oxidation in n-dodecane of dibenzothiophene (DBT) and its methyl-substituted derivatives to their corresponding sulfones with complete selectivity, without observation of the sulfoxide. DBT ...
Theoretical investigation of gold clusters supported on graphene sheets

Pulido, Ángeles; Boronat Zaragoza, Mercedes; Corma Canós, Avelino (Royal Society of Chemistry, 2011)

[EN] The structure and stabilization of a series of gold (Au-n) clusters (where n = 1, 5, 6, 19 and 39) supported on the perfect and defective (vacancy and/or N-doped) graphene sheets were investigated using a periodic DFT ...

Mostrando ítems 1-3 de 3