Issue Date | Title | Author(s) |
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 |
6-May-2017 | Functionalization of γ-graphyne by transition metal adatoms | Kim, Sunkyung; Ruiz Puigdollers, Antonio; Gamallo Belmonte, Pablo; Viñes Solana, Francesc; Lee, Jin Yong |
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 |
3-Aug-2016 | Single oxygen vacancies of (TiO2)35 as a prototype of reduced nanoparticle: implication for photocatalytic activity | Kim, Sunkyung; Ko, Kyoung Chul; Lee, Jin Yong; Illas i Riera, Francesc |
29-Jun-2017 | Substrate-mediated single-atom isolation: dispersion of Ni and La on gamma-graphyne | Kim, Sunkyung; Gamallo Belmonte, Pablo; Viñes Solana, Francesc; Lee, Jin Yong; Illas i Riera, Francesc |
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 |
10-Sep-2019 | The nano gold rush: Graphynes as atomic sieves for coinage and Pt-group transition metals | Sunkyung, Kim; Gamallo Belmonte, Pablo; Viñes Solana, Francesc; Lee, Jin Yong |
1-Apr-2017 | When 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 calculations | Lamiel Garcia, Josep Oriol; Ko, Kyoung Chul; Lee, Jin Yong; Bromley, Stefan Thomas; Illas i Riera, Francesc |