Articles publicats en revistes (Ciència dels Materials i Química Física) Collection home page

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Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 286
Issue DateTitleAuthor(s)
9-Sep-2016Highly Versatile Polyelectrolyte Complexes for Improving the Enzyme Replacement Therapy of Lysosomal Storage DisordersGiannotti, Marina I. (Ines); Abasolo, Ibane; Oliva, Mireia (Oliva Herrera); Andrade, Fernanda; García-Aranda, Natalia; Melgarejo Diaz, Marta; Pulido, Daniel; Corchero, José L.; Fernández Amurgo, Yolanda; Villaverde, Antonio; Royo Expósito, Miriam; García-Parajo, María F.; Sanz Carrasco, Fausto; Schwartz Navarro, Simó
28-Aug-2017Quantum dynamics of H2 in a carbon nanotube: separation of time scales and resonance enhanced tunnelingMondelo Martell, Manel; Huarte Larrañaga, Fermín; Manthe, Uwe
3-Aug-2016Single oxygen vacancies of (TiO2)35 as a prototype of reduced nanoparticle: implication for photocatalytic activityKim, Sunkyung; Ko, Kyoung Chul; Lee, Jin Yong; Illas i Riera, Francesc
15-Feb-2017Global optimisation of hydroxylated silica clusters: a cascade Monte Carlo Basin Hopping approachCuko, Andi; Maciá, Toni; Calatayud, Monica; Bromley, Stefan Thomas
1-Apr-2017When anatase nanoparticles become bulk-like: properties of realistic TiO2 nanoparticles in the 1-6 nm size range from all electron relativistic density functional theory based calculationsLamiel-García, Oriol; Ko, Kyoung Chul; Lee, Jin Yong; Bromley, Stefan Thomas; Illas i Riera, Francesc
28-Apr-2017ZnO powders as multi-facet single crystalsHaque, Francia; Chenot, Stéphane; Viñes Solana, Francesc; Illas i Riera, Francesc; Stankic, Slavica; Jupille, Jacques
Oct-2016Comparing the catalytic activity of the water gas shift reaction on Cu(321) and Cu(111) surfaces: step sites do not always enhance the overall reactivityPrats, Héctor; Gamallo Belmonte, Pablo; Illas i Riera, Francesc; Sayós Ortega, Ramón
27-May-2016Magnetic coupling constants in three electrons three centres problems from effective Hamiltonian theory and validation of broken symmetry based approachesReta Mañeru, Daniel; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
1-Aug-2016Effect of size and structure on the ground-state and excited-state electronic structure of TiO2 nanoparticlesCho, Daeheum; Ko, Kyoung Chul; Lamiel-García, Oriol; Bromley, Stefan Thomas; Lee, Jin Yong; Illas i Riera, Francesc
1-Apr-2016Performance of a modified hybrid functional in the simultaneous description of stoichiometric and reduced TiO2 polymorphsKo, Kyoung Chul; Lamiel-García, Oriol; Lee, Jin Yong; Illas i Riera, Francesc
2016Highly efficient electrochemical and chemical hydrogenation of 4-nitrophenol using recyclable narrow mesoporous magnetic CoPt nanowiresSerrà i Ramos, Albert; Alcobé i Ollé, Xavier; Sort, Jordi; Nogués, Josep; Vallés Giménez, Elisa
7-Aug-2014Effects of Dimethyl Sulfoxide on Lipid Membrane ElectroporationFernández, M. Laura; Reigada Sanz, Ramon
3-Apr-2017Idm@ti Network: an innovatiove proposal for improving teaching and learning in Spanish universitiesSalan, Núria; Cabedo, Luis; Segarra Rubí, Mercè; Guraya, Teresa; Lopez, Pascal; Sales, David; Gamez, José
28-Jul-2016MSWI bottom ash for thermal energy storage: An innovative and sustainable approach for its reutilizationdel Valle-Zermeño, Ricardo; Barreneche, Carmen; Cabeza, Luisa F.; Formosa Mitjans, Joan; Fernández Renna, Ana Inés; Chimenos Ribera, Josep Ma.
18-Aug-2016Effects of the electrodeposition time in the synthesis of carbon-supported Pt(Cu) and Pt-Ru(Cu) core-shell electrocatalysts for polymer electrolyte fuel cellsCaballero Manrique, Griselda; Nadeem, Immad Muhammed.; Brillas, Enric; Centellas Masuet, Francesc A.; Garrido Ponce, José Antonio; Rodríguez González, Rosa Ma; Cabot Julià, Pere-Lluís
19-Dec-2016Matildite versus schapbachite: First-principles investigation of the origin of photoactivity in AgBiS2Viñes Solana, Francesc; Bernechea, María; Konstantatos, Gerasimos; Illas i Riera, Francesc
1-Feb-2017Adding pieces to the CO/Pt(111) puzzle: the role of dispersionJanthon, Patanachai; Viñes Solana, Francesc; Sirijaraensre, Jakkapan; Limtrakul, Jumras; Illas i Riera, Francesc
11-Jan-2017Electronic structure of stoichiometric and reduced ZnO from periodic relativistic all electron hybrid density functional calculations using numeric atom-centered orbitalsViñes Solana, Francesc; Illas i Riera, Francesc
1-Mar-2017Systematic study of the effect of HSE functional internal parameters on the electronic structure and band gap of a representative set of metal oxidesViñes Solana, Francesc; Lamiel-García, Oriol; Ko, Kyoung Chul; Lee, Jin Yong; Illas i Riera, Francesc
29-Jan-2017Predicting core level binding energies shifts: suitability of the projector augmented wave approach as implemented in VASPPueyo Bellafont, Noèlia; Viñes Solana, Francesc; Hieringer, Wolfgang; Illas i Riera, Francesc
Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 286