Giovanni Di Liberto (G Di Liberto)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 32

Top Venues

The Journal of chemical physics

Journal of physics. Condensed matter : an Institute of Physics journal

ACS applied materials & interfaces

Physical chemistry chemical physics : PCCP

University of Milano-Bicocca

Università degli Studi di Milano (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Milano-Bicocca Dec 01 2018

Italy

Post-Doc :: Dipartimento di Scienza dei Materiali

Education History

Università degli Studi di Milano Oct 01 2015 - Sep 30 2018

Italy

PHD :: Chimica

Publications

Debolina Misra, Giovanni Di Liberto, Gianfranco Pacchioni
CO 2 electroreduction on single atom catalysts: the role of the DFT functional. Physical chemistry chemical physics : PCCP 26 (14) (2024)
Vandung Dao, Giovanni Di Liberto, Sunny Yadav, Uthirakumar Periyayya, Kai Chen, Gianfranco Pacchioni, In-Hwan Lee
Pt Single Atoms Supported on Defect Ceria as an Active and Stable Dual-Site Catalyst for Alkaline Hydrogen Evolution. Nano letters 24 (4) (2024)
Clara Saetta, Ilaria Barlocco, Giovanni Di Liberto, Gianfranco Pacchioni
Key Ingredients for the Screening of Single Atom Catalysts for the Hydrogen Evolution Reaction: The Case of Titanium Nitride. Small (Weinheim an der Bergstrasse, Germany) (2024)
Elisabetta Inico, Clara Saetta, Giovanni Di Liberto
Impact of quantum size effects to the band gap of catalytic materials: a computational perspective. Journal of physics. Condensed matter : an Institute of Physics journal 36 (36) (2024)
Debolina Misra, Giovanni Di Liberto, Gianfranco Pacchioni
CO 2 electroreduction on single atom catalysts: the role of the DFT functional. Physical chemistry chemical physics : PCCP (2024)
Vandung Dao, Giovanni Di Liberto, Sunny Yadav, Uthirakumar Periyayya, Kai Chen, Gianfranco Pacchioni, In-Hwan Lee
Pt Single Atoms Supported on Defect Ceria as an Active and Stable Dual-Site Catalyst for Alkaline Hydrogen Evolution. Nano letters (2024)
Elisabetta Inico, Clara Saetta, Giovanni Di Liberto
Impact of Quantum Size Effects to the Band Gap of Catalytic Materials: A Computational Perspective. Journal of physics. Condensed matter : an Institute of Physics journal (2024)
Debolina Misra, Giovanni Di Liberto, Gianfranco Pacchioni
CO 2 electroreduction on single atom catalysts: the role of the DFT functional. Physical chemistry chemical physics : PCCP 26 (14) (2024)
Farahnaz Maleki, Giovanni Di Liberto, Gianfranco Pacchioni
pH- and Facet-Dependent Surface Chemistry of TiO 2 in Aqueous Environment from First Principles. ACS applied materials & interfaces 15 (8) (2023)
Farahnaz Maleki, Giovanni Di Liberto, Gianfranco Pacchioni
pH- and Facet-Dependent Surface Chemistry of TiO 2 in Aqueous Environment from First Principles. ACS applied materials & interfaces 15 (8) (2023)
Farahnaz Maleki, Giovanni Di Liberto, Gianfranco Pacchioni
pH- and Facet-Dependent Surface Chemistry of TiO 2 in Aqueous Environment from First Principles. ACS applied materials & interfaces (2023)
Farahnaz Maleki, Giovanni Di Liberto, Gianfranco Pacchioni
pH- and Facet-Dependent Surface Chemistry of TiO 2 in Aqueous Environment from First Principles. ACS applied materials & interfaces 15 (8) (2023)
Farahnaz Maleki, Giovanni Di Liberto, Gianfranco Pacchioni
pH- and Facet-Dependent Surface Chemistry of TiO 2 in Aqueous Environment from First Principles. ACS applied materials & interfaces 15 (8) (2023)
Nils Schewe, Farahnaz Maleki, Giovanni Di Liberto, Andreas Gerdes, Hicham Idriss, Gianfranco Pacchioni, Christof Wöll
Identification of Intermediates in the Reaction Pathway of SO 2 on the CaO Surface: From Physisorption to Sulfite to Sulfate. Chemistry (Weinheim an der Bergstrasse, Germany) (2023)
Tilak Das, Giovanni Di Liberto, Gianfranco Pacchioni
Quantum confinement in chalcogenides 2D nanostructures from first principles. Journal of physics. Condensed matter : an Institute of Physics journal 34 (40) (2022)
Mark A Bajada, Jesús Sanjosé-Orduna, Giovanni Di Liberto, Sergio Tosoni, Gianfranco Pacchioni, Timothy Noël, Gianvito Vilé
Interfacing single-atom catalysis with continuous-flow organic electrosynthesis. Chemical Society reviews 51 (10) (2022)
Giovanni Di Liberto, Ángel Morales-García, Stefan T Bromley
An unconstrained approach to systematic structural and energetic screening of materials interfaces. Nature communications 13 (1) (2022)
Ivan Grigioni, Giovanni Di Liberto, Maria Vittoria Dozzi, Sergio Tosoni, Gianfranco Pacchioni, Elena Selli
WO3/BiVO4 Photoanodes: Facets Matching at the Heterojunction and BiVO4 Layer Thickness Effects. ACS applied energy materials 4 (8) (2021)
Giovanni Di Liberto, Gianfranco Pacchioni
Band offset in semiconductor heterojunctions. Journal of physics. Condensed matter : an Institute of Physics journal 33 (41) (2021)
Giovanni Di Liberto, Luis A Cipriano, Gianfranco Pacchioni
Role of Dihydride and Dihydrogen Complexes in Hydrogen Evolution Reaction on Single-Atom Catalysts. Journal of the American Chemical Society 143 (48) (2021)
Giovanni Di Liberto, Sergio Tosoni, Gianfranco Pacchioni
Role of surface termination in forming type-II photocatalyst heterojunctions: the case of TiO2/BiVO4. Journal of physics. Condensed matter : an Institute of Physics journal (2020)
Luis A Cipriano, Giovanni Di Liberto, Sergio Tosoni, Gianfranco Pacchioni
Band Gap in Magnetic Insulators from a Charge Transition Level Approach. Journal of chemical theory and computation 16 (6) (2020)
Giovanni Di Liberto, Sergio Tosoni, Gianfranco Pacchioni
Nitrogen doping in coexposed (001)-(101) anatase TiO2 surfaces: a DFT study. Physical chemistry chemical physics : PCCP 21 (38) (2019)
Gianluca Bertaina, Giovanni Di Liberto, Michele Ceotto
Reduced rovibrational coupling Cartesian dynamics for semiclassical calculations: Application to the spectrum of the Zundel cation. The Journal of chemical physics 151 (11) (2019)
Tilak Das, Giovanni Di Liberto, Sergio Tosoni, Gianfranco Pacchioni
Band Gap of 3D Metal Oxides and Quasi-2D Materials from Hybrid Density Functional Theory: Are Dielectric-Dependent Functionals Superior? Journal of chemical theory and computation 15 (11) (2019)
Giovanni Di Liberto, Sergio Tosoni, Gianfranco Pacchioni
Role of Heterojunction in Charge Carrier Separation in Coexposed Anatase (001)-(101) Surfaces. The journal of physical chemistry letters 10 (10) (2019)
Fabio Gabas, Giovanni Di Liberto, Michele Ceotto
Vibrational investigation of nucleobases by means of divide and conquer semiclassical dynamics. The Journal of chemical physics 150 (22) (2019)
Xinyou Ma, Giovanni Di Liberto, Riccardo Conte, William L Hase, Michele Ceotto
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. The Journal of chemical physics 149 (16) (2018)
Fabio Gabas, Giovanni Di Liberto, Riccardo Conte, Michele Ceotto
Protonated glycine supramolecular systems: the need for quantum dynamics. Chemical science 9 (41) (2018)
Giovanni Di Liberto, Riccardo Conte, Michele Ceotto
"Divide and conquer" semiclassical molecular dynamics: A practical method for spectroscopic calculations of high dimensional molecular systems. The Journal of chemical physics 148 (1) (2018)
Giovanni Di Liberto, Riccardo Conte, Michele Ceotto
"Divide-and-conquer" semiclassical molecular dynamics: An application to water clusters. The Journal of chemical physics 148 (10) (2018)
Giovanni Di Liberto, Valentina Pifferi, Leonardo Lo Presti, Michele Ceotto, Luigi Falciola
Atomistic Explanation for Interlayer Charge Transfer in Metal-Semiconductor Nanocomposites: The Case of Silver and Anatase. The journal of physical chemistry letters 8 (21) (2017)

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Publication Activity (10 Years)

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Giovanni Di Liberto (G Di Liberto)