Lista de obras -

A Route toward the Generation of Thermally Stable Au Cluster Anions Supported on the MgO Surface

artículo científico publicado en 2008

Accuracy of dielectric-dependent hybrid functionals in the prediction of optoelectronic properties of metal oxide semiconductors: A comprehensive comparison with many-body GW and experiments.

artículo científico publicado en 2017

An efficient way to model complex magnetite: Assessment of SCC-DFTB against DFT

scientific article published on 01 March 2019

Band Gap in Magnetite above Verwey Temperature Induced by Symmetry Breaking

artículo científico publicado en 2017

Bulk-terminated or reconstructed Fe3O4(001) surface: water makes a difference

artículo científico publicado en 2018

Cerium-Doped Zirconium Dioxide, a Visible-Light-Sensitive Photoactive Material of Third Generation

scholarly article by Chiara Gionco et al published 15 January 2014 in Journal of Physical Chemistry Letters

Computational Electrochemistry of Water Oxidation on Metal-Doped and Metal-Supported Defective h-BN

artículo científico publicado en 2019

Curved TiO2 Nanoparticles in Water: Short (Chemical) and Long (Physical) Range Interfacial Effects.

artículo científico publicado en 2018

Effect of dopamine-functionalization, charge and pH on protein corona formation around TiO<sub>2</sub> nanoparticles

artículo científico publicado en 2022

Electron Traps on Oxide Surfaces: (H+)(e−) Pairs Stabilized on the Surface of 17O Enriched CaO

Excess Electrons Stabilized on Ionic Oxide Surfaces†

artículo científico publicado en 2006

First Evidence of a Single-Ion Electron Trap at the Surface of an Ionic Oxide

article

Formation of Superoxo Species by Interaction of O2 with Na Atoms Deposited on MgO Powders: A Combined Continuous-Wave EPR (CW-EPR), Hyperfine Sublevel Correlation (HYSCORE) and DFT Study

article

H2O Adsorption on WO3 and WO3-x (001) Surfaces.

artículo científico publicado en 2017

Hydration structure of the Ti(III) cation as revealed by pulse EPR and DFT studies: new insights into a textbook case

artículo científico publicado en 2011

Impact of surface curvature, grafting density and solvent type on the PEGylation of titanium dioxide nanoparticles

artículo científico publicado en 2019

Insight into the Na adsorption on WSe2xS2(1-x) monolayers: a hybrid functional investigation

scientific article published on 22 May 2020

Insight into the interface between Fe3O4 (001) surface and water overlayers through multiscale molecular dynamics simulations

artículo científico publicado en 2020

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

Local Environment of Electrons Trapped at the MgO Surface: Spin Density on the Oxygen Ions from17O Hyperfine Coupling Constants

Methanol on Anatase TiO2 (101): Mechanistic Insights into Photocatalysis.

artículo científico publicado en 2017

N2− Radical Anions Trapped in Bulk Polycrystalline MgO

NO Monomers on MgO Powders and Thin Films

article published in 2002

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

artículo científico publicado en 2018

Nature of the Chemical Bond between Metal Atoms and Oxide Surfaces: New Evidences from Spin Density Studies of K Atoms on Alkaline Earth Oxides

scientific article published in 2005

Origin of Photoactivity of Nitrogen-Doped Titanium Dioxide under Visible Light

artículo científico publicado en 2006

O− radical anions on polycrystalline MgO

Paramagnetic Defects in Polycrystalline Zirconia: An EPR and DFT Study

Partially Hydroxylated Polycrystalline Ionic Oxides: A New Route toward Electron-Rich Surfaces

scientific article published in 2007

Properties of Alkali Metal Atoms Deposited on a MgO Surface: A Systematic Experimental and Theoretical Study

Proton Transfers at a Dopamine-Functionalized TiO2 Interface

scientific article published on 20 June 2018

Rational design of nanosystems for simultaneous drug delivery and photodynamic therapy by quantum mechanical modeling

artículo científico publicado en 2019

Single Electron Traps at the Surface of Polycrystalline MgO: Assignment of the Main Trapping Sites

Synthesis of corrugated C-based nanostructures by Br-corannulene oligomerization

scientific article published on 12 October 2018

The 17O hyperfine structure of trapped holes photo generated at the surface of polycrystalline MgO

Water at the Interface Between Defective Graphene and Cu or Pt (111) Surfaces

artículo científico publicado en 2017

Water on Graphene-Coated TiO2: Role of Atomic Vacancies.

artículo científico publicado en 2018

Lista de obras de

A Route toward the Generation of Thermally Stable Au Cluster Anions Supported on the MgO Surface

Accuracy of dielectric-dependent hybrid functionals in the prediction of optoelectronic properties of metal oxide semiconductors: A comprehensive comparison with many-body GW and experiments.

An efficient way to model complex magnetite: Assessment of SCC-DFTB against DFT

Band Gap in Magnetite above Verwey Temperature Induced by Symmetry Breaking

Bulk-terminated or reconstructed Fe3O4(001) surface: water makes a difference

Cerium-Doped Zirconium Dioxide, a Visible-Light-Sensitive Photoactive Material of Third Generation

Computational Electrochemistry of Water Oxidation on Metal-Doped and Metal-Supported Defective h-BN

Curved TiO2 Nanoparticles in Water: Short (Chemical) and Long (Physical) Range Interfacial Effects.

Effect of dopamine-functionalization, charge and pH on protein corona formation around TiO<sub>2</sub> nanoparticles

Electron Traps on Oxide Surfaces: (H+)(e−) Pairs Stabilized on the Surface of 17O Enriched CaO

Excess Electrons Stabilized on Ionic Oxide Surfaces†

First Evidence of a Single-Ion Electron Trap at the Surface of an Ionic Oxide

Formation of Superoxo Species by Interaction of O2 with Na Atoms Deposited on MgO Powders: A Combined Continuous-Wave EPR (CW-EPR), Hyperfine Sublevel Correlation (HYSCORE) and DFT Study

H2O Adsorption on WO3 and WO3-x (001) Surfaces.

Hydration structure of the Ti(III) cation as revealed by pulse EPR and DFT studies: new insights into a textbook case

Impact of surface curvature, grafting density and solvent type on the PEGylation of titanium dioxide nanoparticles

Insight into the Na adsorption on WSe2xS2(1-x) monolayers: a hybrid functional investigation

Insight into the interface between Fe3O4 (001) surface and water overlayers through multiscale molecular dynamics simulations

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

Local Environment of Electrons Trapped at the MgO Surface: Spin Density on the Oxygen Ions from17O Hyperfine Coupling Constants

Methanol on Anatase TiO2 (101): Mechanistic Insights into Photocatalysis.

N2− Radical Anions Trapped in Bulk Polycrystalline MgO

NO Monomers on MgO Powders and Thin Films

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

Nature of the Chemical Bond between Metal Atoms and Oxide Surfaces: New Evidences from Spin Density Studies of K Atoms on Alkaline Earth Oxides

Origin of Photoactivity of Nitrogen-Doped Titanium Dioxide under Visible Light

O− radical anions on polycrystalline MgO

Paramagnetic Defects in Polycrystalline Zirconia: An EPR and DFT Study

Partially Hydroxylated Polycrystalline Ionic Oxides: A New Route toward Electron-Rich Surfaces

Properties of Alkali Metal Atoms Deposited on a MgO Surface: A Systematic Experimental and Theoretical Study

Proton Transfers at a Dopamine-Functionalized TiO2 Interface

Rational design of nanosystems for simultaneous drug delivery and photodynamic therapy by quantum mechanical modeling

Single Electron Traps at the Surface of Polycrystalline MgO: Assignment of the Main Trapping Sites

Synthesis of corrugated C-based nanostructures by Br-corannulene oligomerization

The 17O hyperfine structure of trapped holes photo generated at the surface of polycrystalline MgO

Water at the Interface Between Defective Graphene and Cu or Pt (111) Surfaces

Water on Graphene-Coated TiO2: Role of Atomic Vacancies.