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

Giovanni Barcaro, Susanna Monti, Luca Sementa, and Vincenzo Carravetta*

J. Chem. Theory Comput. 2019, 15 (3), 2010–2021.

DOI: 10.1021/acs.jctc.8b01222

Publication Date (Web): February 7, 2019. Copyright © 2019 American Chemical Society

 

 

 


 

Nickel Nanoparticles Decorated Nitrogen-Doped Carbon Nanotubes (Ni/N-CNT); a Robust Catalyst for the Efficient and Selective CO2 Methanation

Wei Wang, Cuong Duong-Viet,* Housseinou Ba, Walid Baaziz, Giulia Tuci, Stefano Caporali, Lam Nguyen-Dinh, Ovidiu Ersen, Giuliano Giambastiani,* and Cuong Pham-Huu.*

ACS Appl. Energy Mater. 2019, 2 (2), 1111-1120.

DOI: 10.1021/acsaem.8b01681

Publication Date (Web): December 17, 2018. Copyright © 2018 American Chemical Society

 

 

 


 

Epitaxial multilayers of alkanes on two-dimensional black phosphorus as passivating and electrically insulating nanostructures

Margherita Bolognesi, Marco Brucale,* Andrea Lorenzoni, Federico Prescimone, Salvatore Moschetto, Vladimir V. Korolkov, Matteo Baldoni, Manuel Serrano-Ruiz, Maria Caporali, Francesco Mercuri, Elena Besley, Michele Muccini, Maurizio Peruzzini, Peter H. Beton and Stefano Toffanin.*

Nanoscale, 2019, 11, 17252-17261.

DOI: 10.1039/C9NR01155B

Publication Date (Web): 18 Jul 2019. Copyright © 2019 The Royal Society of Chemistry.

 


 

Nitro‐Functionalized Bis(pyrazolate) Metal–Organic Frameworks as Carbon Dioxide Capture Materials under Ambient Conditions.

Nello Mosca, Rebecca Vismara, José A. Fernandes, Giulia Tuci, Corrado Di Nicola, Konstantin V. Domasevitch, Carlotta Giacobbe, Giuliano Giambastiani, Claudio Pettinari, Marta Aragones‐Anglada, Peyman Z. Moghadam, David Fairen‐Jimenez, Andrea Rossin,* and Simona Galli.*

Chem. Eur. J. 2018, 24 (50), 1347-1353.

DOI: 10.1002/chem.201804275

Publication Date (Web): July 20, 2018. Copyright © 2018 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim.

 


 

Energy Production and Storage Promoted by Organometallic Complexes.

Marco Bellini,* Manuela Bevilacqua, Andrea Marchionni, Hamish Andrew Miller, Jonathan Filippi, Hansjörg Grützmacher,* and Francesco Vizza.*

Eur. J. Inorg. Chem. 2018, (40), 4393-4412.

DOI: 10.1002/ejic.201801148

Publication Date (Web): September 21, 2018. Copyright © 2018 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim.

 

 


 

Catalytic Activity of Silicon Nanowires Decorated with Gold and Copper Nanoparticles Deposited by Pulsed Laser Ablation.

Michele Casiello, Rosaria Anna Picca, Caterina Fusco, Lucia D’Accolti, Antonio Alessio Leonardi, Maria Josè Lo Faro, Alessia Irrera, Sebastiano Trusso, Pietro Cotugno, Maria Chiara Sportelli, Nicola Cioffi,* and Angelo Nacci.*

Nanomaterials 2018, 8 (2), 78.

DOI: 10.3390/nano8020078

Publication Date (Web): January 30, 2018. Copyright © 2018 MDPI.

 

 


 

Photochemical Synthesis of cis,trans,cis‐1,2,3,4‐Tetrakis(diphenylphosphanyl)buta‐1,3‐diene and Its Metal Coordination.

Johannes Prock, Katharina Ehrmann, Wolfgang Viertl, Richard Pehn, Johann Pann, Helena Roithmeyer, Marvin Bendig, Alba Rodríguez Villalón, Holger Kopacka, Alexander Dumfort, Werner Oberhauser,* Simon T. Clausing, Günther Knör,* Peter Brüggeller.*

Eur. J. Inorg. Chem. 2018, (46), 4962-4971.

DOI: 10.1002/ejic.201800804

Publication Date (Web): December 13, 2018. Copyright © 2018 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim.

 


 

Dynamics and self-assembly of bio-functionalized gold nanoparticles in solution: Reactive molecular dynamics simulations.

Susanna Monti,* Giovanni Barcaro, Luca Sementa, Vincenzo Carravetta, and Hans Ågren.

Nano Res. 2018, 11, 1757.

DOI: 10.1007/s12274-017-1704-2

Publication Date (Web): March 19, 2018. Copyright © Tsinghua University Press and Springer-Verlag GmbH Germany, part of Springer Nature 2018

 

 


 

Combined therapies with nanostructured carbon materials: there is room still available at the bottom.

Giacomo Biagiotti, Stefano Fedeli, Giulia Tuci, Lapo Luconi, Giuliano Giambastiani, Alberto Brandi, Federica Pisaneschi, Stefano Cicchi,* and Paolo Paoli.

J. Mater. Chem. B 2018, 6, 2022-2035 .

DOI: 10.1039/C8TB00121A

Publication Date (Web): February 19, 2018. Copyright © 2018 The Royal Society of Chemistry.

 

 


 

Biomimetic graphene for enhanced interaction with the external membrane of astrocytes.

M. Durso, A. I. Borrachero-Conejo, C. Bettini, E. Treossi, A. Scidà, E. Saracino, M. Gazzano, M. Christian, V. Morandi, G. Tuci, G. Giambastiani, L. Ottaviano, F. Perrozzi, V. Benfenati, M. Melucci,* and V. Palermo.*

J. Mater. Chem. B 2018, 6, 5335-5342.

DOI: 10.1039/C8TB01410H

Publication Date (Web): July 18, 2018. Copyright © 2018 The Royal Society of Chemistry.

 

 


 

How to teach an old dog new (electrochemical) tricks: aziridine-functionalized CNTs as efficient electrocatalysts for the selective CO2 reduction to CO.

Giulia Tuci, Jonathan Filippi, Housseinou Ba, Andrea Rossin, Lapo Luconi, Cuong Pham-Huu,* Francesco Vizza,* and Giuliano Giambastiani.*

J. Mater. Chem. A 2018, 6, 16382-16389.

DOI: 10.1039/C8TA04267E

Publication Date (Web): July 16, 2018. Copyright © 2018 The Royal Society of Chemistry.

 

 


 

The p-sc structure in phosphorus: bringing order to the high pressure phases of group 15 elements.

Demetrio Scelta, Adhara Baldassarre, Manuel Serrano-Ruiz, Kamil Dziubek, Andrew B. Cairns, Maurizio Peruzzini, Roberto Bini, and Matteo Ceppatelli.*

Chem. Commun. 2018, 54, 10554-10557.

DOI: 10.1039/c8cc03013h

Publication Date (Web): August 22, 2018. Copyright © 2018 The Royal Society of Chemistry.

 

 


 

Surface Engineering of Chemically Exfoliated MoS2 in a “Click”: How To Generate Versatile Multifunctional Transition Metal Dichalcogenides-Based Platforms.

Giulia Tuci, Dario Mosconi, Andrea Rossin, Lapo Luconi, Stefano Agnoli, Marcello Righetto, Cuong Pham-Huu, Housseinou Ba, Stefano Cicchi, Gaetano Granozzi,* and Giuliano Giambastiani.*

Chem. Mater. 2018, 30, (22), 8257-8269.

DOI: 10.1021/acs.chemmater.8b03663

Publication Date (Web): October 12, 2018. Copyright © 2018 American Chemical Society.

 


 

Perspective: Size selected clusters for catalysis and electrochemistry.

Avik Halder, Larry A. Curtiss, Alessandro Fortunelli, and Stefan Vajda.*

J. Chem. Phys. 2018, 148 (11), 110901.

DOI: 10.1063/1.5020301

Publication Date (Web): March 15, 2018. Copyright © 2018 AIP Publishing LLC.

 

 

 

 


 

Modelling strategies for the covalent functionalization of 2D phosphorene.

Andrea Ienco,* Gabriele Manca,* Maurizio Peruzzini, and Carlo Mealli.

Dalton Trans. 2018, 47, 17243-17256.

DOI: 10.1039/C8DT03628D

Publication Date (Web): November 12, 2018. Copyright © 2018 The Royal Society of Chemistry.

 

 

 


 

Hybrid Materials: Theoretical Study of the Adsorption Mechanism of Cystine on Au(110) in Aqueous Solution.

Susanna Monti,* Vincenzo Carravetta, and Hans Ågren.

Small  2016, 12 (44), 6134-6143.

DOI: 10.1002/smll.201602275

Publication Date (Web): September 27, 2016. Copyright © 2016 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim.

 

 


Editorial: Nanocatalysis.

Alessandro Fortunelli,* and Stefan Vajda.*

Catal. Sci. & Technol. 2016, 6 (18), 6763-6765.

DOI: 10.1039/C6CY90085B

Publication Date (Web): September 5, 2016. Copyright © 2016 The Royal Society of Chemistry.

 

 

 

 


Synthetic Antenna Functioning As Light Harvester in the Whole Visible Region for Enhanced Hybrid Photosynthetic Reaction Centers.

Omar Hassan Omar, Simona la Gatta, Rocco Roberto Tangorra, Francesco Milano, Roberta Ragni, Alessandra Operamolla, Roberto Argazzi, Claudio Chiorboli, Angela Agostiano, Massimo Trotta,* Gianluca M. Farinola.*

Bioconjugate Chem. 2016, 27 (7), 1614-1623.

DOI: 10.1021/acs.bioconjchem.6b00175

Publication Date (Web): May 31, 2016. Copyright © 2016 American Chemical Society.

 

 


Going beyond the vertical approximation with time dependent density functional theory.

Fabrizio Santoro* and Denis Jacquemin.*

WIREs Comput Mol Sci 2016, 6, 460–486.

DOI: 10.1002/wcms.1260

Publication Date (Web): April 22, 2016. Copyright © 2016 John Wiley and Sons.

 

 

 

 


 

Pyridine-decorated carbon nanotubes as a metal-free heterogeneous catalyst for mild CO2 reduction to methanol with hydroboranes.

Giulia Tuci, Andrea Rossin, Lapo Luconi, Cuong Pham-Huu,* Stefano Cicchi, Housseinou Ba, and Giuliano Giambastiani.*

Catal. Sci. & Technol. 2017, 7, 5833-5837.

DOI: 10.1039/C7CY01772C

Publication Date (Web): October 30, 2017. Copyright © 2017 The Royal Society of Chemistry.

 

 


 

Parametrization of a Reactive Force Field (ReaxFF) for Molecular Dynamics Simulations of Si Nanoparticles.

Giovanni Barcaro, Susanna Monti, Luca Sementa, and Vincenzo Carravetta.*

J. Chem. Theory Comput. 2017, 13, (8), 3854-3861.

DOI: 10.1021/acs.jctc.7b00445

Publication Date (Web): June 22, 2017. Copyright © 2017 American Chemical Society.

 

 

 


 

Unraveling Surface Basicity and Bulk Morphology Relationship on Covalent Triazine Frameworks with Unique Catalytic and Gas Adsorption Properties.

Giulia Tuci, Moritz Pilaski, Housseinou Ba, Andrea Rossin, Lapo Luconi, Stefano Caporali, Cuong Pham‐Huu,* Regina Palkovits,* and Giuliano Giambastiani.*

Adv. Funct. Mater. 2017, 27, (7), 1605672.

DOI: 10.1002/adfm.201605672

Publication Date (Web): January 17, 2017. Copyright © 2017 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim.

 


 

A Hetero‐Bifunctional Spacer for the Smart Engineering of Carbon‐Based Nanostructures.

Giulia Tuci, Lapo Luconi, Andrea Rossin, Francesco Baldini, Stefano Cicchi, Sara Tombelli, Cosimo Trono, Ambra Giannetti, Ilse Manet, Stefano Fedeli, Alberto Brandi, and Giuliano Giambastiani.*

ChemPlusChem 2015, 80 (4), 636-636.

DOI: 10.1002/cplu.201500037

Publication Date (Web): February 4, 2015. Copyright © 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim.