Ab-Initio Spectroscopic Characterization of Melem-Based Graphitic Carbon Nitride Polymorphs

by Aldo Ugolotti, Cristiana Di Valentin
Published 2021-07-01

Nature of Excitons in Bidimensional WSe2 by Hybrid Density Functional Theory Calculations

by Hongsheng Liu, Paolo Lazzaroni, Cristiana Di Valentin
Published 2018-06-01

Using Density Functional Theory to Model Realistic TiO2 Nanoparticles, Their Photoactivation and Interaction with Water

by Daniele Selli, Gianluca Fazio, Cristiana Di Valentin
Published 2017-11-01

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

by Asmus Ougaard Dohn, Daniele Selli, Gianluca Fazio, Lorenzo Ferraro, Jens Jørgen Mortensen, Bartolomeo Civalleri, Cristiana Di Valentin
Published 2018-11-01

Copper single-atoms embedded in 2D graphitic carbon nitride for the CO2 reduction

by Claudio Cometto, Aldo Ugolotti, Elisa Grazietti, Alessandro Moretto, Gregorio Bottaro, Lidia Armelao, Cristiana Di Valentin, Laura Calvillo, Gaetano Granozzi
Published 2021-07-01