surface for solar cell applications




Pt-incorporated anatase TiO_ {2}(001) surface for solar cell applications: First-principles density functional theory calculations

FREE-DOWNLOAD [PDF] E Mete, D Uner, O Gülseren… – Physical Review B, 2009
First-principles density functional theory calculations were carried out to determine the low energy
geom- etries of anatase TiO2(001) with Pt implants in the sublayers as substitutional and interstitial
impurities as well as on the surface in the form of adsorbates. We investigated the effect of