Oriol Lamiel-García

When Anatase Nanoparticles Become Bulklike: Properties of Realistic TiO₂ Nanoparticles in the 1–6 nm Size Range from All Electron Relativistic Density Functional Theory Based Calculations

Oriol Lamiel-García, Kyoung Chul Ko, Jin Yong Lee et al. · Journal of Chemical Theory and Computation · 2017 · 106 citations · Full text

Natural Sciences, Materials Science, Physics +17

Predicting size-dependent emergence of crystallinity in nanomaterials: titania nanoclusters versus nanocrystals

Oriol Lamiel-García, Andi Cuko, Mónica Calatayud et al. · Nanoscale · 2016 · 100 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Systematic study of the effect of HSE functional internal parameters on the electronic structure and band gap of a representative set of metal oxides

Francesc Viñes, Oriol Lamiel-García, Kyoung Chul Ko et al. · Journal of Computational Chemistry · 2017 · 83 citations

Natural Sciences, Materials Science, Physics +17

Electronic Structure of F-Doped Bulk Rutile, Anatase, and Brookite Polymorphs of TiO₂

Sergio Tosoni, Oriol Lamiel-García, Daniel Fernández Hevia et al. · The Journal of Physical Chemistry C · 2012 · 75 citations

Natural Sciences, Materials Science, Physics +17

Effect of Size and Structure on the Ground-State and Excited-State Electronic Structure of TiO₂ Nanoparticles

Daeheum Cho, Kyoung Chul Ko, Oriol Lamiel-García et al. · Journal of Chemical Theory and Computation · 2016 · 67 citations · Full text

Natural Sciences, Materials Science, Physics +17