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Issue Date
Title
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1-Mar-2017
Systematic study of the effect of HSE functional internal parameters on the electronic structure and band gap of a representative set of metal oxides
Viñes Solana, Francesc; Lamiel Garcia, Josep Oriol; Ko, Kyoung Chul; Lee, Jin Yong; Illas i Riera, Francesc
29-Jan-2017
Predicting core level binding energies shifts: suitability of the projector augmented wave approach as implemented in VASP
Pueyo Bellafont, Noèlia; Viñes Solana, Francesc; Hieringer, Wolfgang; Illas i Riera, Francesc
1-Feb-2017
Adding pieces to the CO/Pt(111) puzzle: the role of dispersion
Janthon, Patanachai; Viñes Solana, Francesc; Sirijaraensre, Jakkapan; Limtrakul, Jumras; Illas i Riera, Francesc
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
9-Jun-2014
The Bending Machine: CO2 Activation and Hydrogenation on d-MoC(001) and b-Mo2C(001) Surfaces.
Posada Pérez, Sergio; Viñes Solana, Francesc; Ramírez, Pedro J.; Vidal, Alba B.; Rodríguez, José A.; 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.
16-May-2017
Effective and highly selective CO generation from CO2 using a polycrystalline α‑Mo2C catalyst
Liu, Xinayun; Kunkel, Christian; Ramírez de la Piscina, Pilar; Homs Martí, Narcís; Viñes Solana, Francesc; Illas i Riera, Francesc
11-Jan-2017
Electronic structure of stoichiometric and reduced ZnO from periodic relativistic all electron hybrid density functional calculations using numeric atom-centered orbitals
Viñes Solana, Francesc; Illas i Riera, Francesc
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
Discover
Author
66
Illas i Riera, Francesc
53
Viñes Solana, Francesc
17
Sayós Ortega, Ramón
15
Morales García, Ángel
12
Gamallo Belmonte, Pablo
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Subject
123
Teoria del funcional de densitat
18
Adsorció
18
Adsorption
16
Nanoparticles
16
Nanopartícules
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Date issued
44
2020 - 2023
68
2010 - 2019
11
2000 - 2009