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Listar por autor "López Auséns, Javier Tirso"

Mostrando ítems 1-4 de 4

A heterogeneous mechanism for the catalytic decomposition of hydroperoxides and oxidation of alkanes over CeO2 nanoparticles: A combined theoretical and experimental study

López Auséns, Javier Tirso; Boronat Zaragoza, Mercedes; Concepción Heydorn, Patricia; Chouzier, Sandra; Mastroianni, Sergio; Corma Canós, Avelino (Elsevier, 2016)

[EN] A nanoparticulate CeO2 catalyst is presented that is able to oxidize cyclohexane to K/A-oil (a mixture of cyclohexanone and cyclohexanol) using hydroperoxides as oxidizing species. The improvement in selectivity with ...
From Quantum Mechanics to Catalysis: Studies on the oxidation of alkanes by gold and metal oxides

López Auséns, Javier Tirso (Universitat Politècnica de València, 2018-12-12)

This dissertation focuses on the assessment and development of heterogeneous catalysts for the deperoxidation of cyclohexyl hydroperoxide and oxidation of cyclohexane, which will be based in metal oxides and gold nanoparticles. ...
Making C-C bond with gold catalysts: A theoretical study of the influence of gold particle size on the dissociation of the C-X bond in aryl halides

Boronat Zaragoza, Mercedes; López Auséns, Javier Tirso; Corma Canós, Avelino (American Chemical Society, 2014-05-01)

The adsorption and activation of iodo-, bromo-, and chlorobenzene over gold catalysts of different size, including an extended Au(111) surface; three-dimensional Au38 and Au13 nanoparticles; and planar Au7, Au6, and Au3 ...
The acid-base and redox reactivity of CeO2 nanoparticles: Influence of the Hubbard U term in DFT plus U studies

Boronat Zaragoza, Mercedes; López Auséns, Javier Tirso; Corma Canós, Avelino (Elsevier, 2016)

[EN] The interaction of small molecules with acid-base and redox centers in small Ce21O42 nanoparticles has been theoretically investigated using the DFT + U approach with the PW91 functional and U = 0.2 and 4 eV, in order ...

Mostrando ítems 1-4 de 4

Listar por autor "López Auséns, Javier Tirso"

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Listar por autor "López Auséns, Javier Tirso"