1. Dipòsit Digital de la Universitat de Barcelona

Search


Current filters:

Start a new search
Add filters:

Use filters to refine the search results.

 | 
Results 11-20 of 24 (Search time: 0.014 seconds).
Item hits:
Issue DateTitleAuthor(s)
1-Aug-2017Performance of the G(0)W(0) method in predicting the electronic gap of TiO2 nanoparticlesMorales García, Ángel; Valero Montero, Rosendo; Illas i Riera, Francesc
25-May-2018Two-dimensional nitrides as highly efficient potential candidates for CO2 capture and activationMorales-Salvador, Raul; Morales García, Ángel; Viñes Solana, Francesc; Illas i Riera, Francesc
1-Sep-2019Electronic properties of realistic anatase TiO2 nanoparticles from G(0)W(0) calculations on a Gaussian and plane waves schemeMorales García, Ángel; Valero Montero, Rosendo; Illas i Riera, Francesc
25-Jun-2018Reliable and computationally affordable prediction of the energy gap of (TiO2)(n) (10 <= n <= 563) nanoparticles from density functional theoryMorales García, Ángel; Valero Montero, Rosendo; Illas i Riera, Francesc
3-Apr-2020Facile heterogeneously catalyzed nitrogen rixation by MXenesGouveia, José D.; Morales García, Ángel; Viñes Solana, Francesc; Gomes, José R. B.; Illas i Riera, Francesc
3-Dec-2022Structural and Electronic Properties of Metal/Oxide Nanostructures from First-Principles: Ru13 Supported on (TiO2)84 as a Case StudyAllès, Miquel; Remesal, Elena R.; Illas i Riera, Francesc; Morales García, Ángel
5-Jul-2023How does thickness affect magnetic coupling in Ti-based MXenesGarcía-Romeral, Néstor; Morales García, Ángel; Viñes Solana, Francesc; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
2023Toward a Rigorous Theoretical Description of Photocatalysis Using Realistic ModelsMorales García, Ángel; Viñes Solana, Francesc; Sousa Romero, Carmen; Illas i Riera, Francesc
2-Oct-2023Role of N Doping in the Reduction of Titania NanostructuresRemesal, Elena R.; Morales García, Ángel; Illas i Riera, Francesc
1-Dec-2021Thermodynamics and Kinetics of Molecular Hydrogen Adsorption and Dissociation on MXenes: Relevance to Heterogeneously Catalyzed Hydrogenation ReactionsLópez, Martí; Morales García, Ángel; Viñes Solana, Francesc; Illas i Riera, Francesc

Discover