Francesc Illas
4PUBLICATIONS
10CO-AUTHORS
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Publications (4)
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|Jul 03, 2020
On the use of DFT+U to describe the electronic structure of TiO2 nanoparticles: (TiO2)35 as a case study.Ángel Morales-García, Stephen Rhatigan, Michael Nolan
|May 17, 2020
Nature of SrTiO3/TiO2 (anatase) heterostructure from hybrid density functional theory calculations.Giovanni Di Liberto, Sergio Tosoni, Francesc Illas
|Jun 10, 2019
Efficient preparation of TiO2 nanoparticle models using interatomic potentials.Antoni Macià Escatllar, Ángel Morales-García, Francesc Illas
|Jul 17, 2017
Assessing the ability of DFT methods to describe static electron correlation effects: CO core level binding energies as a representative case.Noèlia Pueyo Bellafont, Paul S Bagus, Carmen Sousa
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Frequent Collaborators
2 joint publications
Ángel Morales-García
1 joint publications
Paul S Bagus
1 joint publications
Carmen Sousa
1 joint publications
Antoni Macià Escatllar
1 joint publications
Stefan T Bromley
1 joint publications
Giovanni Di Liberto
1 joint publications
Sergio Tosoni
1 joint publications
Gianfranco Pacchioni
1 joint publications
Stephen Rhatigan
1 joint publications
Michael Nolan
