1. Dipòsit Digital de la Universitat de Barcelona

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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.
2022Quantifying interactions on interfaces between metal partic¬les and oxide supports in catalytic nanomaterialsNeyman, Konstantin M.; Kozlov, Sergey
7-May-2020Morphology of TiO2 nanoparticles as fingerprint for the transient absorption spectra: implications for photocatalysisMorales García, Ángel; Valero Montero, Rosendo; Illas i Riera, Francesc
22-Dec-2021Unravelling Morphological and Topological Energy Contributions of Metal NanoparticlesVega Dominguez, Lorena; Viñes Solana, Francesc; Neyman, Konstantin M.
11-Aug-2022Carbon-doped anatase titania nanoparticles: similarities and differences with respect to bulk and extended surface modelsRemesal, Elena R.; Morales García, Ángel
20-Jan-2022Artificial-intelligence-driven discovery of catalyst genes with application to CO2 activation on semiconductor oxidesMazheika, Aliaksei; Wang, Yang-Gang; Valero Montero, Rosendo; Viñes Solana, Francesc; Illas i Riera, Francesc; Ghiringelli, Luca M.; Levchenko, Sergey V.; Scheffler, Matthias
7-Jan-2021Pd single-atom sites on the surface of PdAu nanoparticles: A DFT-based Topological search for suitable compositionsMamatkulov, Mikhail; Yudanov, Ilya; Bukhtiyarov, Andrey V.; Neyman, Konstantin M.

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