most citedAbsorption mechanism of dopamine/DOPAC modified TiO 2 nanoparticles by time-dependent density functional theory calculations

2 citations · 2 across the 2 of their papers we have counts for

collaborators

2 papers

cond-mat.mtrl-sci2020★ 2 cited

Absorption mechanism of dopamine/DOPAC modified TiO 2 nanoparticles by time-dependent density functional theory calculations

Costanza Ronchi, Federico Soria, Lorenzo Ferraro +2

Donor-modified TiO 2 nanoparticles are interesting hybrid systems shifting the absorption edge of this semiconductor from the ultra-violet to the visible or infrared light spectrum…

physics.chem-ph2019

Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard-Jones Parameters for Water and to Study Solvation of TiO2 Nanoparticles

Asmus Ougaard Doh, Daniele Selli, Gianluca Fazio +4

Metal oxide nanoparticles (NPs) are regarded as good candidates for many technological applications, where their functional environment is often an aqueous solution. The correct de…