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 ...
Ferre Vilaplana, Adolfo; Buso-Rogero, Carlos; Feliu, Juan M.; Herrero, Enrique(American Chemical Society, 2016-06-02)
[EN] Using a combination of experimental and computational methods, mainly FTIR and DFT calculations, new insights are provided here in order to better understand the cleavage of the C–C bond taking place during the complete ...
Gisbert-González, José M.; Cheuquepán, William; Ferre Vilaplana, Adolfo; Herrero, Enrique; Feliu, Juan M.(Elsevier, 2021-01-01)
[EN] Adsorbed amino acids can modulate the behavior of metal nanoparticles in advanced applications. Using a combination of electrochemical experiments, FTIR spectroscopy, and DFT calculations, glutamate species interacting ...
DFT studies on platinum stepped surfaces have been carried out in order to understand the differences in the electrochemical behavior between the surfaces with (111) and (100) terraces. Thus, adsorption energies of different ...
Perales Rondón, Juan Victor; Ferre Vilaplana, Adolfo; Feliu, Juan; Herrero, Enrique(American Chemical Society, 2014-09-14)
In order to improve catalytic processes, elucidation of reaction mechanisms is essential. Here, supported by a combination of experimental and computational results, the oxidation mechanism of formic acid on Pt(111) ...
[EN] To optimize nitrogen-doped graphitic materials as metal-free catalysts for the oxygen reduction reaction mechanisms have to be better understood. Here, the role played by pyridinic nitrogen-dopants in the chemisorption-based ...
Ferre Vilaplana, Adolfo; Perales Rondón, Juan Víctor; Feliu, Juan M.; Herrero, Enrique(American Chemical Society, 2015-02)
The engineered search for new catalysts requires a deep knowledge about reaction mechanisms. Here, with the support of a combination of computational and experimental results, the oxidation mechanism of formic acid on ...