1. Dipòsit Digital de la Universitat de Barcelona

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Results 11-20 of 123 (Search time: 0.03 seconds).
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Issue DateTitleAuthor(s)
6-Aug-2021Chemical ordering in Pt-Au, Pt-Ag and Pt-Cu nanoparticles from density functional calculations using a topological approachVega Dominguez, Lorena; Aleksandrov, Hristiyan A.; Farris, Riccardo; Bruix, Albert; Viñes Solana, Francesc; Neyman, Konstantin M.
11-Mar-2022Nanostructuring determines poisoning: Tailoring CO adsorption on PtCu bimetallic nanoparticles.Vega Dominguez, Lorena; García Cardona, Julia; Viñes Solana, Francesc; Cabot Julià, Pere-Lluís; Neyman, Konstantin M.
14-May-2020MXenes atomic layer stacking phase transitions and their chemical activity consequencesGouveia, José D.; Viñes Solana, Francesc; Illas i Riera, Francesc; Gomes, José R. B.
28-Jul-2017Size dependent structural and polymorphic transitions in ZnO: from nanocluster to bulkViñes Solana, Francesc; Lamiel Garcia, Josep Oriol; Illas i Riera, Francesc; Bromley, Stefan Thomas
4-Feb-2019Subsurface carbon: a general feature of noble metalsPiqué, Oriol; Koleva, Iskra Z.; Viñes Solana, Francesc; Aleksandrov, Hristiyan A.; Vayssilov, Georgi N.; Illas i Riera, Francesc
9-Aug-2017An empirical, yet practical way to predict the band gap in solids by using density functional band structure calculationsMorales García, Ángel; Valero Montero, Rosendo; Illas i Riera, Francesc
14-Sep-2019Electronic, structural, and optical properties of Y2WO6, a host material for inorganic phosphorsAlemany i Cahner, Pere; Llanos, Jaime
15-Nov-2021Adsorption and oxidation of CO on ceria nanoparticles exposing single-atom Pd and Ag: A DFT modellingNasluzov, Vladimir A.; Ivanova Shor, Elena A.; Shor, Aleksey M.; Laletina, Svetlana A.; Neyman, Konstantin M.
13-Feb-2020Explaining Cu@Pt bimetallic nanoparticles activity based on NO adsorptionViñes Solana, Francesc; Görling, Andreas
22-Feb-2016First-principles analysis of the charge transfer in the NMP-TCNQ molecular metal and (NMP)x(Phen)1-xTCNQ solid solutionsAlemany i Cahner, Pere; Canadell, Enric, 1950-; Pouget, Jean-Paul

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