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Giovanni Di Liberto
Giovanni Di Liberto
Assistant Professor (RTDa) Dipartimento di Scienza dei Materiali, University of Milan Bicocca
Email verificata su unimib.it
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A Close Look at the Structure of the TiO2-APTES Interface in Hybrid Nanomaterials and Its Degradation Pathway: An Experimental and Theoretical Study
D Meroni, L Lo Presti, G Di Liberto, M Ceotto, RG Acres, KC Prince, ...
The Journal of Physical Chemistry C 121 (1), 430-440, 2017
1142017
Semiclassical “Divide-and-Conquer” method for spectroscopic calculations of high dimensional molecular systems
M Ceotto, G Di Liberto, R Conte
Physical Review Letters 119 (1), 010401, 2017
612017
Unraveling the Cooperative Mechanism of Visible-Light Absorption in Bulk N,Nb Codoped TiO2 Powders of Nanomaterials
C Marchiori, G Di Liberto, G Soliveri, L Loconte, L Lo Presti, D Meroni, ...
The Journal of Physical Chemistry C 118 (41), 24152-24164, 2014
512014
The importance of the pre-exponential factor in semiclassical molecular dynamics
G Di Liberto, M Ceotto
The Journal of Chemical Physics 145 (14), 144107, 2016
462016
Role of heterojunction in charge carrier separation in coexposed anatase (001)–(101) Surfaces
G Di Liberto, S Tosoni, G Pacchioni
The journal of physical chemistry letters 10 (10), 2372-2377, 2019
412019
“Divide and conquer” semiclassical molecular dynamics: A practical method for spectroscopic calculations of high dimensional molecular systems
G Di Liberto, R Conte, M Ceotto
The Journal of Chemical Physics 148 (1), 014307, 2018
392018
Impregnation versus Bulk Synthesis: How the Synthetic Route Affects the Photocatalytic Efficiency of Nb/Ta:N Codoped TiO2 Nanomaterials
L Rimoldi, C Ambrosi, G Di Liberto, L Lo Presti, M Ceotto, C Oliva, ...
The Journal of Physical Chemistry C 119 (42), 24104-24115, 2015
382015
Band gap of 3D metal oxides and quasi-2D materials from hybrid density functional theory: are dielectric-dependent functionals superior?
T Das, G Di Liberto, S Tosoni, G Pacchioni
Journal of chemical theory and computation 15 (11), 6294-6312, 2019
352019
“Divide-and-conquer” semiclassical molecular dynamics: An application to water clusters
G Di Liberto, R Conte, M Ceotto
The Journal of Chemical Physics 148 (10), 104302, 2018
342018
Quantum confinement in group III–V semiconductor 2D nanostructures
LA Cipriano, G Di Liberto, S Tosoni, G Pacchioni
Nanoscale 12 (33), 17494-17501, 2020
322020
Nitrogen doping in coexposed (001)–(101) anatase TiO 2 surfaces: a DFT study
G Di Liberto, S Tosoni, G Pacchioni
Physical Chemistry Chemical Physics 21 (38), 21497-21505, 2019
322019
Protonated glycine supramolecular systems: the need for quantum dynamics
F Gabas, G Di Liberto, R Conte, M Ceotto
Chemical science 9 (41), 7894-7901, 2018
312018
Role of Dihydride and Dihydrogen Complexes in Hydrogen Evolution Reaction on Single-Atom Catalysts
G Di Liberto, LA Cipriano, G Pacchioni
Journal of the American Chemical Society 143 (48), 20431-20441, 2021
282021
Atomistic explanation for interlayer charge transfer in metal–semiconductor nanocomposites: the case of silver and anatase
G Di Liberto, V Pifferi, L Lo Presti, M Ceotto, L Falciola
The journal of physical chemistry letters 8 (21), 5372-5377, 2017
272017
Theoretical treatment of semiconductor heterojunctions for photocatalysis: the WO3/BiVO4 interface
G Di Liberto, S Tosoni, G Pacchioni
Journal of Physics: Condensed Matter 31 (43), 434001, 2019
252019
Vibrational investigation of nucleobases by means of divide and conquer semiclassical dynamics
F Gabas, G Di Liberto, M Ceotto
The Journal of Chemical Physics 150 (22), 224107, 2019
232019
A quantum mechanical insight into SN2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl⋯CH3Cl pre-reaction …
X Ma, G Di Liberto, R Conte, WL Hase, M Ceotto
The Journal of Chemical Physics 149 (16), 164113, 2018
232018
Nature of SrTiO3/TiO2 (anatase) heterostructure from hybrid density functional theory calculations
G Di Liberto, S Tosoni, F Illas, G Pacchioni
The Journal of Chemical Physics 152 (18), 184704, 2020
222020
Reduced rovibrational coupling Cartesian dynamics for semiclassical calculations: Application to the spectrum of the Zundel cation
G Bertaina, G Di Liberto, M Ceotto
The Journal of Chemical Physics 151 (11), 114307, 2019
212019
Charge Carriers Cascade in a Ternary TiO2/TiO2/ZnS Heterojunction: A DFT Study
G Di Liberto, S Tosoni, G Pacchioni
ChemCatChem 12 (7), 2097-2105, 2020
192020
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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