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List of works by Giovanni Barcaro

2D oxides on metal materials: concepts, status, and perspectives

scientific article published on 22 May 2019

A first-principles theoretical approach to heterogeneous nanocatalysis.

scientific article published on 7 November 2011

A grouping approach to homotop global optimization in alloy nanoparticles.

scientific article published in November 2014

A study of bimetallic Cu-Ag, Au-Ag and Pd-Ag clusters adsorbed on a double-vacancy-defected MgO(100) terrace

scientific article published on 01 January 2008

Adsorption and diffusion of Fe on a titania ultrathin film

scientific article published on 01 December 2009

Adsorption-induced restructuring and early stages of carbon-nanotube growth on Ni nanoparticles.

scientific article

Alloying Effects on the Optical Properties of Ag–Au Nanoclusters from TDDFT Calculations

article

Analogy between homogeneous and heterogeneous catalysis by subnanometer metal clusters: Ethylene oxidation on Ag trimers supported on MgO(1 0 0)

scientific article published in May 2015

Au nanoparticles on a templating TiO(x)/Pt(111) ultrathin polar film: a photoemission and photoelectron diffraction study

scientific article published on 9 February 2009

Au133(SPh-tBu)52 Nanomolecules: X-ray Crystallography, Optical, Electrochemical, and Theoretical Analysis

scientific article published on 02 April 2015

Au24(SAdm)16 Nanomolecules: X-ray Crystal Structure, Theoretical Analysis, Adaptability of Adamantane Ligands to Form Au23(SAdm)16 and Au25(SAdm)16, and Its Relation to Au25(SR)18

article

Bimetallic Ag-Pt sub-nanometer supported clusters as highly efficient and robust oxidation catalysts

scientific article published on 14 December 2017

Comment on “(Au–Ag)144(SR)60alloy nanomolecules” by C. Kumara and A. Dass, Nanoscale, 2011,3, 3064

article

Communication: Striking dependence of diffusion kinetics in Ag–Cu nanoalloys upon composition and quantum effects

article

DFT study of the structures and energetics of 98-atom AuPd clusters

scientific article published on 5 December 2012

Designing ligand-enhanced optical absorption of thiolated gold nanoclusters

article

Diffusion of palladium clusters on magnesium oxide

scientific article published on 06 December 2005

Directed assembly of Au and Fe nanoparticles on a TiOx/Pt(111) ultrathin template: the role of oxygen affinity

scientific article published on 19 October 2009

Dramatic increase in the oxygen reduction reaction for platinum cathodes from tuning the solvent dielectric constant

scientific article published on 14 May 2014

Electronic and structural shell closure in AgCu and AuCu nanoclusters

scientific article published on 01 November 2006

Epitaxy, truncations, and overhangs in palladium nanoclusters adsorbed on MgO(001)

scientific article published on 11 April 2007

Experimental and theoretical elucidation of catalytic pathways in TiO2-initiated prebiotic polymerization

scientific article published on 01 March 2019

Global minimum Pt(13)M(20) (M = Ag, Au, Cu, Pd) dodecahedral core-shell clusters.

scientific article

Interface effects on the magnetism of CoPt-supported nanostructures

scientific article published on 21 November 2011

Interface-stabilized phases of metal-on-oxide nanodots.

scientific article published in September 2008

Kondo versus magnetic coupling of cobalt dimers in a Cu–O (2 × 1) reconstruction ⬇️

scientific article published on May 20, 2010

Ligand-Enhanced Optical Response of Gold Nanomolecules and Its Fragment Projection Analysis: The Case of Au30(SR)18

Ligand/cluster/support catalytic complexes in heterogeneous ultrananocatalysis: NO oxidation on Ag3/MgO(100).

scientific article

Lignin-Supported Heterogeneous Photocatalyst for the Direct Generation of H 2 O 2 from Seawater

scientific article published on 7 February 2022

Metal adsorption on oxide polar ultrathin films

scientific article published on 19 February 2008

Metal tungstates at the ultimate two-dimensional limit: fabrication of a CuWO₄ nanophase

scientific article published on 13 March 2014

Modeling Nucleation and Growth of ZnO Nanoparticles in a Low Temperature Plasma by Reactive Dynamics

scientific article published on 20 February 2019

Modeling generation and growth of iron oxide nanoparticles from representative precursors through ReaxFF molecular dynamics

scientific article published on 22 January 2020

Modelling the metal-on-top effect for Pd clusters on the MgO{100} substrate

scientific article published on 01 June 2013

Molecular dynamics simulations of melting and sintering of Si nanoparticles: a comparison of different force fields and computational models

scientific article published on 21 December 2017

Molecularly Imprinted Nanoparticles towards MMP9 for Controlling Cardiac ECM after Myocardial Infarction: A Predictive Experimental-Computational Chemistry Investigation

Nanostripe pattern of NaCl layers on Cu(110)

scientific article published on 22 May 2013

Optical Properties of Pt and Ag–Pt Nanoclusters from TDDFT Calculations: Plasmon Suppression by Pt Poisoning

Optical Properties of Silver Nanoshells from Time-Dependent Density Functional Theory Calculations

Optical properties of nanoalloys

scientific article published on 15 April 2015

Optimization of chemical ordering in AgAu nanoalloys

scientific article published on 19 April 2011

Optimizing the oxygen evolution reaction for electrochemical water oxidation by tuning solvent properties

scientific article

Ordered arrays of size-selected oxide nanoparticles

scientific article published on 11 May 2012

Patchy multishell segregation in Pd-Pt alloy nanoparticles

scientific article published on 02 March 2011

Phosphorene and Black Phosphorus: The 31P NMR View

scientific article published on 21 August 2019

Prediction of the structures of free and oxide-supported nanoparticles by means of atomistic approaches: the benchmark case of nickel clusters

scientific article published on 28 June 2010

Probing the atomic structure of metallic nanoclusters with the tip of a scanning tunneling microscope.

scientific article

Redox processes at a nanostructured interface under strong electric fields

scientific article published on 30 July 2014

Rotational invariance and double frustration in the structures of gold clusters growing around the F(s)-defected MgO (100) surface

scientific article published on 01 October 2006

Size-dependent selectivity and activity of silver nanoclusters in the partial oxidation of propylene to propylene oxide and acrolein: A joint experimental and theoretical study

Structural motifs, mixing, and segregation effects in 38-atom binary clusters

scientific article published on 01 April 2008

Structure of Ag clusters Grown on Fs-Defect Sites of an MgO(1 0 0) surface

scientific article published on 01 January 2007

Structures and energetics of 98 atom Pd-Pt nanoalloys: potential stability of the Leary tetrahedron for bimetallic nanoparticles

scientific article published in October 2007

Structures of gas-phase Ag-Pd nanoclusters: a computational study

scientific article published on 01 June 2010

Structures of metal nanoparticles adsorbed on MgO(001). I. Ag and Au.

scientific article published in May 2009

Structures of metal nanoparticles adsorbed on MgO(001). II. Pt and Pd.

scientific article published in May 2009

The Interaction of Coinage Metal Clusters with the MgO(100) Surface

scientific article published on 01 September 2005

The atomistic origin of the extraordinary oxygen reduction activity of Pt3Ni7 fuel cell catalysts.

scientific article published on 29 April 2015

The two-dimensional cobalt oxide (9 × 2) phase on Pd(100)

scientific article published on 01 May 2011

Toward Sustainable Li-Ion Battery Recycling: Green Metal–Organic Framework as a Molecular Sieve for the Selective Separation of Cobalt and Nickel

scientific article published in 2021

Tracking thermally-activated transformations in a nanostructured metal/oxide/metal system

scientific article published on 30 August 2011

Transformation of Au144(SCH2CH2Ph)60 to Au133(SPh-tBu)52 Nanomolecules: Theoretical and Experimental Study

scientific article

Validation of density-functional versus density-functional+U approaches for oxide ultrathin films

scientific article published on 01 March 2010

Work Function of Oxide Ultrathin Films on the Ag(100) Surface

scientific article published on 23 January 2012

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