198 citations · 271 across the 3 of their papers we have counts for
4 papers
Level alignment of a prototypical photocatalytic system: Methanol on TiO2(110)
Annapaola Migani, Duncan J. Mowbray, Amilcare Iacomino +3
Photocatalytic and photovoltaic activity depends on the optimal alignment of electronic levels at the molecule/semiconductor interface. Establishing level alignment experimentally…
On the electronic structure of silicene on Ag substrate: strong hybridization effects
Seymur Cahangirov, Martha Audiffred, Peizhe Tang +4
The electronic structure of the recently synthesised (3x3) reconstructed silicene on (4x4) Ag(111) is investigated by first-principles calculations. New states emerge due to the st…
Self-Energy and Excitonic Effects in the Electronic and Optical Properties of TiO2 Crystalline Phases
Letizia Chiodo, Juan Maria Garcia-Lastra, Amilcare Iacomino +4
We present a unified ab-initio study of electronic and optical properties of TiO2 rutile and anatase phases, with a combination of Density Functional Theory and Many Body Perturbat…
Tailoring electronic and optical properties of TiO2: nanostructuring, doping and molecular-oxide interactions
L. Chiodo, J. M. García-Lastra, D. J. Mowbray +2
Titanium dioxide is one of the most widely investigated oxides. This is due to its broad range of applications, from catalysis to photocatalysis to photovoltaics. Despite this larg…