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| Issue Date | Title | Author(s) |
|---|---|---|
| 19-Dec-2016 | Matildite versus schapbachite: First-principles investigation of the origin of photoactivity in AgBiS2 | Viñes Solana, Francesc; Bernechea, María; Konstantatos, Gerasimos; Illas i Riera, Francesc |
| Jan-2016 | Transition Metal Carbides as Novel Materials for CO2 Capture, Storage, and Activation | Kunkel, Christian; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 1-Mar-2016 | Towards stable single-atom catalysts: Strong binding of atomically dispersed transition metals on the surface of nanostructured ceria | Figueroba Sánchez, Alberto; Kovács, Gábor; Bruix Fusté, Albert; Neyman, Konstantin M. |
| 17-Jun-2016 | The contact of graphene with Ni(111) surface: description by modern dispersive forces approaches | Muñoz-Galán, Helena; Viñes Solana, Francesc; Gebhardt, Julian; Görling, Andreas; Illas i Riera, Francesc |
| 22-Feb-2016 | First-principles analysis of the charge transfer in the NMP-TCNQ molecular metal and (NMP)x(Phen)1-xTCNQ solid solutions | Alemany i Cahner, Pere; Canadell, Enric, 1950-; Pouget, Jean-Paul |
| 1-Aug-2016 | Effect of size and structure on the ground-state and excited-state electronic structure of TiO2 nanoparticles | Cho, Daeheum; Ko, Kyoung Chul; Lamiel Garcia, Josep Oriol; Bromley, Stefan Thomas; Lee, Jin Yong; Illas i Riera, Francesc |
| Oct-2016 | Comparing the catalytic activity of the water gas shift reaction on Cu(321) and Cu(111) surfaces: step sites do not always enhance the overall reactivity | Prats Garcia, Hèctor; Gamallo Belmonte, Pablo; Illas i Riera, Francesc; Sayós Ortega, Ramón |
| 1-Apr-2016 | Performance of a modified hybrid functional in the simultaneous description of stoichiometric and reduced TiO2 polymorphs | Ko, Kyoung Chul; Lamiel Garcia, Josep Oriol; Lee, Jin Yong; Illas i Riera, Francesc |
| 1-Jan-2016 | Large conductance switching in a single-molecule device through room temperature spin-dependent transport | Aragonès, Albert C.; Aravena, Daniel; Cerda, Jorge I.; Acis-Castillo, Zulema; Li, Haipeng; Antonio Real, Jose; Sanz Carrasco, Fausto; Hihath, Josh; Ruiz Sabín, Eliseo; Díez Pérez, Ismael |
| 2016 | On the hydrogen adsorption and dissociation on Cu surfaces and nanorows | Álvarez Falcón, Leny; Viñes Solana, Francesc; Notario Estévez, Almudena; Illas i Riera, Francesc |