F. Baletto

Most-cited papers

Structural properties of nanoclusters: Energetic, thermodynamic, and kinetic effects
F. Baletto, R. Ferrando
20051,466 citations Open access
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Single impurity effect on the melting of nanoclusters.
C. Mottet, G. Rossi, F. Baletto, Riccardo Ferrando
2005Physical Review Letters160 citations
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Tailoring the Structural Motif of AgCo Nanoalloys: Core/Shell versus Janus-like
Irina Parsina, F. Baletto
201092 citations
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The Effect of Dispersion Correction on the Adsorption of CO on Metallic Nanoparticles.
Jack Davis, F. Baletto, R. Johnston
2015Journal of Physical Chemistry A66 citations Open access
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Data-driven simulation and characterisation of gold nanoparticle melting
C. Zeni, K. Rossi, Theodore Pavloudis, J. Kioseoglou +3 more
2021Nature Communications64 citations Open access
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A Dynamic Landscape from Femtoseconds to Minutes for Excess Electrons at Ice-Metal Interfaces
U. Bovensiepen, C. Gahl, J. Stähler, M. Bockstedte +6 more
200961 citations Open access
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Building machine learning force fields for nanoclusters.
C. Zeni, K. Rossi, Aldo Glielmo, Ádám Fekete +3 more
2018Journal of Chemical Physics47 citations Open access
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Structural properties of sub-nanometer metallic clusters
F. Baletto
2019Journal of Physics: Condensed Matter44 citations
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Far-infrared absorption of water clusters by first-principles molecular dynamics.
Mal-Soon Lee, F. Baletto, D. Kanhere, S. Scandolo
2008Journal of Chemical Physics43 citations
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Surface trapped excess electrons on ice.
F. Baletto, C. Cavazzoni, S. Scandolo
2005Physical Review Letters43 citations
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Oxygen adsorption on small PtNi nanoalloys.
C. di Paola, F. Baletto
2011Physical Chemistry, Chemical Physics - PCCP41 citations
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Geometrical Effects on the Magnetic Properties of Nanoparticles.
C. di Paola, R. D’Agosta, F. Baletto
2016Nano letters (Print)39 citations Open access
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On machine learning force fields for metallic nanoparticles
C. Zeni, K. Rossi, Aldo Glielmo, F. Baletto
2019Advances in Physics: X37 citations Open access
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“Get in Touch and Keep in Contact”: Interface Effect on the Oxygen Reduction Reaction (ORR) Activity for Supported PtNi Nanoparticles
G. Asara, L. O. Paz-Borbón, F. Baletto
201637 citations Open access
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Metallic nanoparticles meet metadynamics.
L. Pavan, K. Rossi, F. Baletto
2015Journal of Chemical Physics37 citations Open access
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Structure, thermodynamics, and rearrangement mechanisms in gold clusters—insights from the energy landscapes framework† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7nr07123j
D. Schebarchov, F. Baletto, David J. Wales
2017Nanoscale33 citations Open access
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Thermodynamics of CuPt nanoalloys
K. Rossi, L. Pártay, Gábor Csányi, F. Baletto
2018Scientific Reports31 citations Open access
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Structural Screening and Design of Platinum Nanosamples for Oxygen Reduction
K. Rossi, G. Asara, F. Baletto
202027 citations Open access
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A universal signature in the melting of metallic nanoparticles.
Laia Delgado-Callico, K. Rossi, Raphael Pinto-Miles, Pascal T. Salzbrenner +1 more
2020Nanoscale27 citations Open access
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Finite-temperature effects on the stability and infrared spectra of HCl(H2O)6 clusters.
U. T. Ndongmouo, Mal-Soon Lee, Ronald Rousseau, F. Baletto +1 more
2007Journal of Physical Chemistry A27 citations Open access
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Theory of hot electrons: general discussion.
J. Aizpurua, F. Baletto, J. Baumberg, P. Christopher +27 more
2019Faraday discussions26 citations Open access
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Multiscale approach for studying melting transitions in CuPt nanoparticles.
L. Pavan, F. Baletto, R. Novakovic
2015Physical Chemistry, Chemical Physics - PCCP26 citations
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The effect of size and composition on structural transitions in monometallic nanoparticles
K. Rossi, L. Pavan, Y. Soon, F. Baletto
201825 citations Open access
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Controlling Structural Transitions in AuAg Nanoparticles through Precise Compositional Design.
Anna L. Gould, K. Rossi, C. A. Catlow, F. Baletto +1 more
2016Journal of Physical Chemistry Letters21 citations Open access
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A novel structural motif for free CoPt nanoalloys.
Irina Parsina, C. Dipaola, F. Baletto
2012Nanoscale21 citations
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Sampling the energy landscape of Pt13 with metadynamics
L. Pavan, C. di Paola, F. Baletto
201320 citations
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A DFT Study on the O2 Adsorption Properties of Supported PtNi Clusters
L. O. Paz-Borbón, F. Baletto
201718 citations Open access
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Melting of large Pt@MgO(1 0 0) icosahedra
K. Rossi, T. Ellaby, L. O. Paz-Borbón, I. Atanasov +2 more
2017Journal of Physics: Condensed Matter16 citations Open access
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The effect of chemical ordering and lattice mismatch on structural transitions in phase segregating nanoalloys.
K. Rossi, F. Baletto
2017Physical Chemistry, Chemical Physics - PCCP16 citations Open access
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Chemical order and magnetic properties in small Mx−2N2 nanoalloys
C. di Paola, F. Baletto
201316 citations
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Dynamics of hot electron generation in metallic nanostructures: general discussion.
J. Aizpurua, M. Ashfold, F. Baletto, J. Baumberg +31 more
2019Faraday discussions15 citations Open access
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Doped golden fullerene cages.
F. Baletto, R. Ferrando
2015Physical Chemistry, Chemical Physics - PCCP14 citations Open access
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A genomic characterisation of monometallic nanoparticles.
K. Rossi, G. Asara, F. Baletto
2018Physical Chemistry, Chemical Physics - PCCP13 citations Open access
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Structural stability and uniformity of magnetic Pt13 nanoparticles in NaY zeolite.
C. di Paola, L. Pavan, R. D’Agosta, F. Baletto
2015Nanoscale11 citations Open access
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Ethanol chemisorption on core–shell Pt-nanoparticles: an ab initio study
V. A. Rigo, C. Miranda, F. Baletto
2018European Physical Journal B : Condensed Matter Physics9 citations Open access
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CCl(4) dissociation on the ice I(h) surface: an excess electron mediated process.
S. Bhattacharya, J. M. Finn, V. Diep, F. Baletto +1 more
2010Physical Chemistry, Chemical Physics - PCCP8 citations
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Gold Decoration To Improve Rh-Nanoalloys for CO-Adsorption
Letícia F. Basso, Mirko Vanzan, L. Prati, V. A. Rigo +1 more
2025The journal of physical chemistry. C, Nanomaterials and interfaces7 citations Open access
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Exploring AuRh Nanoalloys: A Computational Perspective on the Formation and Physical Properties
Mirko Vanzan, Robert M. Jones, S. Corni, R. D’Agosta +1 more
2022ChemPhysChem7 citations Open access
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Benchmarking density functional theory methods for modelling cationic metal–argon complexes
Laia Delgado-Callico, P. Ferrari, J. Bakker, F. Baletto +1 more
2021Theoretical Chemistry accounts7 citations Open access
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Structural characterisation of nanoalloys for (photo)catalytic applications with the Sapphire library.
Robert M Jones, K. Rossi, C. Zeni, Mirko Vanzan +3 more
2022Faraday discussions6 citations Open access
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Born to be different: the formation process of Cu nanoparticles tunes the size trend of the activity for CO2 to CH4 conversion.
Elena Gazzarrini, K. Rossi, F. Baletto
2021Nanoscale6 citations Open access
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Metal Clusters and Nanoalloys From Modeling to Applications
F. Baletto
20136 citations
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Correlating Oxygen Reduction Reaction Activity and Structural Rearrangements in MgO‐Supported Platinum Nanoparticles
K. Rossi, G. Asara, F. Baletto
2019ChemPhysChem5 citations Open access
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A Rational Framework to Estimate the Chiroptical Activity of [6]Helicene Derivatives
Mirko Vanzan, Susanna Bertuletti, Giacomo Becatti, Belén Bazán +5 more
2025Journal of Physical Chemistry A4 citations Open access
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Morphological Stability of Au‐Core Nanosatellites
Sofia Zinzani, Mirko Vanzan, Robert M Jones, F. Baletto
20263 citations Open access
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Coalescence of AuPd nanoalloys in implicit environments.
Sofia Zinzani, F. Baletto
2024Physical Chemistry, Chemical Physics - PCCP3 citations Open access
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Bringing Selectivity in H/D Exchange Reactions Catalyzed by Metal Nanoparticles through Modulation of the Metal and the Ligand Shell
Francisco Martinez-Espinar, Antoni Salóm-Català, Emma Bresó-Femenia, C. Claver +6 more
2023Inorganic Chemistry3 citations Open access
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Pt38 as a promising ethanol catalyst: a first principles study.
V. A. Rigo, F. Baletto
2023Physical Chemistry, Chemical Physics - PCCP3 citations Open access
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Bonding Nature between Noble Gases and Small Gold Clusters.
P. Ferrari, Laia Delgado-Callico, O. Lushchikova, M. Bejide +4 more
2022Journal of Physical Chemistry Letters3 citations Open access
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A kinetic Monte Carlo-blueprint for oxygen reduction on oxide-supported PtNi nanoalloys.
D. Schmidt, Gian Giacomo Asara, F. Baletto
2020Journal of Chemical Physics3 citations
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