| Research area | Chemistry and Materials Science and Technology |
| Title | Properties of Single Oxygen Vacancies on a Realistic TiO2 84 Nanoparticle: A Challenge for Density Functionals |
| Publication Type | Journal Article |
| Publication year | 2018 |
| Authors | Morales-García, Á, Lamiel-Garcia, O, Valero, R, Illas, F |
| Journal | The Journal of Physical Chemistry C |
| Volume | 122 |
| Number | 4 |
| Pages | 2413–2421 |
| DOI | 10.1021/acs.jpcc.7b11269 |
