DI LIBERTO, GIOVANNI
DI LIBERTO, GIOVANNI
DIPARTIMENTO DI SCIENZA DEI MATERIALI
Unraveling the cooperative mechanism of visible-light absorption in bulk N,Nb codoped TiO2 powders of nanomaterials
2014 Marchiori, C; Di Liberto, G; Soliveri, G; Loconte, L; Lo Presti, L; Meroni, D; Ceotto, M; Oliva, C; Cappelli, S; Cappelletti, G; Aieta, C; Ardizzone, S
Impregnation versus Bulk Synthesis: How the Synthetic Route Affects the Photocatalytic Efficiency of Nb/Ta:N Codoped TiO2 Nanomaterials
2015 Rimoldi, L; Ambrosi, C; Di Liberto, G; Lo Presti, L; Ceotto, M; Oliva, C; Meroni, D; Cappelli, S; Cappelletti, G; Soliveri, G; Ardizzone, S
The importance of the pre-exponential factor in semiclassical molecular dynamics
2016 Di Liberto, G; Ceotto, M
Atomistic Explanation for Interlayer Charge Transfer in Metal-Semiconductor Nanocomposites: The Case of Silver and Anatase
2017 Di Liberto, G; Pifferi, V; Lo Presti, L; Ceotto, M; Falciola, L
A close look at the structure of the TiO2-APTES interface in hybrid nanomaterials and its degradation pathway: An experimental and theoretical study
2017 Meroni, D; Lo Presti, L; Di Liberto, G; Ceotto, M; Acres, R; Prince, K; Bellani, R; Soliveri, G; Ardizzone, S
Semiclassical "divide-and-Conquer" Method for Spectroscopic Calculations of High Dimensional Molecular Systems
2017 Ceotto, M; Di Liberto, G; Conte, R
"divide and conquer" semiclassical molecular dynamics: A practical method for spectroscopic calculations of high dimensional molecular systems
2018 Di Liberto, G; Conte, R; Ceotto, M
Protonated glycine supramolecular systems: The need for quantum dynamics
2018 Gabas, F; Di Liberto, G; Conte, R; Ceotto, M
“Divide-and-conquer” semiclassical molecular dynamics : An application to water clusters
2018 Di Liberto, G; Conte, R; Ceotto, M
A quantum mechanical insight into SN2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl-...CH3Cl pre-reaction complex with the VENUS suite of codes
2018 Ma, X; Di Liberto, G; Conte, R; Hase, W; Ceotto, M
Reduced rovibrational coupling Cartesian dynamics for semiclassical calculations: Application to the spectrum of the Zundel cation
2019 Bertaina, G; Di Liberto, G; Ceotto, M
Formation of Reversible Adducts by Adsorption of Oxygen on Ce-ZrO2: An Unusual I•2 Ionic Superoxide
2019 Livraghi, S; Paganini, M; Giamello, E; Di Liberto, G; Tosoni, S; Pacchioni, G
Role of Heterojunction in Charge Carrier Separation in Coexposed Anatase (001)-(101) Surfaces
2019 Di Liberto, G; Tosoni, S; Pacchioni, G
Theoretical treatment of semiconductor heterojunctions for photocatalysis: The WO3/BiVO4 interface
2019 Di Liberto, G; Tosoni, S; Pacchioni, G
Nitrogen doping in coexposed (001)-(101) anatase TiO2 surfaces: A DFT study
2019 Di Liberto, G; Tosoni, S; Pacchioni, G
Band Gap of 3D Metal Oxides and Quasi-2D Materials from Hybrid Density Functional Theory: Are Dielectric-Dependent Functionals Superior?
2019 Das, T; Di Liberto, G; Tosoni, S; Pacchioni, G
Vibrational investigation of nucleobases by means of divide and conquer semiclassical dynamics
2019 Gabas, F; Di Liberto, G; Ceotto, M
Quantum confinement in group III-V semiconductor 2D nanostructures
2020 Cipriano, L; Di Liberto, G; Tosoni, S; Pacchioni, G
Band Gap in Magnetic Insulators from a Charge Transition Level Approach
2020 Cipriano, L; Di Liberto, G; Tosoni, S; Pacchioni, G
Nature of SrTiO3/TiO2 (anatase) heterostructure from hybrid density functional theory calculations
2020 Di Liberto, G; Tosoni, S; Illas, F; Pacchioni, G