| Research area | Chemistry and Materials Science and Technology |
| Title | Reliable and computationally affordable prediction of the energy gap of (TiO2)(n) (10 <= n <= 563) nanoparticles from density functional theory |
| Publication Type | Journal Article |
| Publication year | 2018 |
| Authors | Morales-García, Á, Valero, R, Illas, F |
| Journal | Physical Chemistry Chemical Physics |
| Volume | 20 |
| Number | 28 |
| Pages | 18907–18911 |
| DOI | 10.1039/c8cp03582b |
