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D

Dario Duca

University of Palermo

28H-index
159Paper Count
2.5KCitation Count
Published Papers 49
Publication Date
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Selecting the Most Suitable DFT-XC Functional for Consistent Modeling of Subnanometric Gold Clusters in Catalytic Systems
errCatalysts 2025, Vol. 15, Page 1083
IF4
err2025-11-18
err0
errOAAI
errLudovico Guercio; Francesco Ferrante; Marco Bertini; Laura Gueci; Lorenzo Lisuzzo; Dario Duca
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Anchoring Gold Nanoparticles on Functionalized Halloysite Nanotubes: Density Functional Theory and Experimental Studies
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2025-09-01
err0
errOAAI
errGuercio, Ludovico; Ferrante, Francesco; Bertini, Marco; Ferlito, Chiara; Lisuzzo, Lorenzo; Lazzara, Giuseppe; Duca, Dario
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Synergistic approaches to the acidic activation of halloysite nanotubes for unlocking their potential in sustainable catalysis
errSurfaces and Interfaces
IF6.3
err2025-07-04
err0
errOAAI
errMarco Bertini; Alessandra Palella; Lorenzo Lisuzzo; Francesco Ferrante; Atte Aho; Lorenzo Spadaro; Dmitry Yu. Murzin; Dario Duca
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errSave
Alternative Algebraic Perspectives on CO/H2 PROX over MnO2 Composite Catalysts
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-05-02
err0
errOAAI
errBertini, Marco; Ferrante, Francesco; Gueci, Laura; Prestianni, Antonio; Duca, Dario; Arena, Francesco; Murzin, Dmitry Yu.
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Halloysite Clay Nanotubes for Catalytic Conversion of Biomass: Synergy between Computational Modeling and Experimental Studies
errACS CATALYSIS
IF13.1
err2024-11-25
err0
PREAI
errLisuzzo, Lorenzo; Guercio, Ludovico; Cavallaro, Giuseppe; Duca, Dario; Ferrante, Francesco
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Computational investigation of isoeugenol transformations on a platinum cluster-II: Deoxygenation through hydrogenation to propylcyclohexane
errMOLECULAR CATALYSIS
IF4.9
err2024-07-01
err1
errOAAI
errNania, Chiara; Ferrante, Francesco; Bertini, Marco; Gueci, Laura; Duca, Dario
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Modified Halloysite as Catalyst for the Conversion of Hydroxymethylfurfural to Furandicarboxylic Acid: A DFT Investigation
errCHEMCATCHEM
IF3.9
err2024-05-30
err4
PREAI
errBertini, Marco; Ferrante, Francesco; Guercio, Ludovico; Lisuzzo, Lorenzo; Duca, Dario
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errSave
CO-PROX on MnO2 catalysts: DFT-based microkinetic and experimental macrokinetic approaches
errCATALYSIS TODAY
IF5.3
err2024-05-01
err1
errOAAI
errGueci, L.; Arena, F.; Todaro, S.; Bonura, G.; Cajumi, A.; Bertini, M.; Ferrante, F.; Nania, C.; Duca, D.
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DFT study on zeolites' intrinsic Brønsted acidity: The case of BEA
errCOMPUTATIONAL MATERIALS SCIENCE
IF3.3
err2024-01-01
err2
errOAAI
errGueci, Laura; Ferrante, Francesco; Bertini, Marco; Nania, Chiara; Duca, Dario
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Butene Isomerization on Palladium Surfaces: Time-Dependent Monte Carlo Studies
errINDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
IF3.9
err2023-11-20
err0
errOAAI
errFerrante, Francesco; Bertini, Marco; Gueci, Laura; Duca, Dario
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DFT Study of Pt Particle Growth inside β-Zeolite Cages
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-07-20
err2
errOAAI
errGueci, Laura; Bertini, Marco; Nania, Chiara; Ferrante, Francesco; Duca, Dario
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errSave
Computational investigation of isoeugenol transformations on a platinum cluster-I: Direct deoxygenation to propylcyclohexane
errMOLECULAR CATALYSIS
IF4.9
err2022-08-01
err8
errOAAI
errFerrante, Francesco; Nania, Chiara; Duca, Dario
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errSave
Empathes: A general code for nudged elastic band transition states search
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2022-02-01
err5
errOAAI
errBertini, Marco; Ferrante, Francesco; Duca, Dario
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DFT and kinetic evidences of the preferential CO oxidation pattern of manganese dioxide catalysts in hydrogen stream (PROX)
errAPPLIED CATALYSIS B-ENVIRONMENT AND ENERGY
IF21.1
err2022-01-01
err20
errOAAI
errArena, Francesco; Ferrante, Francesco; Di Chio, Roberto; Bonura, Giuseppe; Frusteri, Francesco; Frusteri, Leone; Prestianni, Antonio; Morandi, Sara; Martra, Gianmario; Duca, Dario
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Ultrafast Interface Charge Separation in Carbon Nanodot-Nanotube Hybrids
errACS APPLIED MATERIALS & INTERFACES
IF8.2
err2021-10-05
err8
errOAAI
errSciortino, Alice; Ferrante, Francesco; Goncalves, Gil; Tobias, Gerard; Popescu, Radian; Gerthsen, Dagmar; Mauro, Nicolo; Giammona, Gaetano; Buscarino, Gianpiero; Gelardi, Franco M.; Agnello, Simonpietro; Cannas, Marco; Duca, Dario; Messina, Fabrizio
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Benzyl alcohol to benzaldehyde oxidation on MnOx clusters: Unraveling atomistic features
errMOLECULAR CATALYSIS
IF4.9
err2021-08-01
err14
errOAAI
errGueci, Laura; Ferrante, Francesco; Prestianni, Antonio; Arena, Francesco; Duca, Dario
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errSave
H2 Transformations on Graphene Supported Palladium Cluster: DFT-MD Simulations and NEB Calculations
errCATALYSTS
IF4
err2020-11-12
err14
errOAAI
errFerrante, Francesco; Prestianni, Antonio; Bertini, Marco; Duca, Dario
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errSave
Alkane dehydrogenation on defective BN quasi-molecular nanoflakes: DFT studies
errMOLECULAR CATALYSIS
IF4.9
err2020-09-01
err7
PREAI
errCortese, Remedios; Campisi, Dario; Prestianni, Antonio; Duca, Dario
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errSave
Hydrogen Arrangements on Defective Quasi-Molecular BN Fragments
errACS OMEGA
IF4.3
err2019-08-30
err4
errOAAI
errCortese, Remedios; Campisi, Dario; Duca, Dario
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A Combined Theoretical and Experimental Approach for Platinum Catalyzed 1,2-Propanediol Aqueous Phase Reforming
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2017-06-29
err5
PREAI
errSchimmenti, Roberto; Cortese, Remedios; Godina, Lidia; Prestianni, Antonio; Ferrante, Francesco; Duca, Dario; Murzin, Dmitry Yu.
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Research Directions

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Co-authors
Cooperation Journals
M
Manos Mavrikakis
H-index: 94 · Papers: 399
D
Dmitry Yu. Murzin
H-index: 77 · Papers: 1.1K
P
Pablo Ordejón
H-index: 67 · Papers: 305
G
Giuseppe Lazzara
H-index: 66 · Papers: 373
D
Dagmar Gerthsen
H-index: 63 · Papers: 741
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