Sfoglia per Autore
DFT Investigations of Formic Acid Adsorption on Single-Wall TiO2 Nanotubes: Effect of the Surface Curvature
2011 Nunzi, Francesca; De Angelis, F.
Inherent Electronic Trap States in TiO2 Nanocrystals: Effect of Saturation and Sintering
2013 Nunzi, Francesca; Mosconi, E.; Storchi, L.; Ronca, Enrico; Selloni, A.; Grätzel, M.; De Angelis, F.
Nanotubes and peapods in Comprehensive Inorganic Chemistry II from elements to applications
2013 Nunzi, Francesca
Shape and Morphology Effects on the Electronic Structure of TiO2Nanostructures: From Nanocrystals to Nanorods
2014 Nunzi, Francesca; Loriano, Storchi; Michele, Manca; Roberto, Giannuzzi; Giuseppe, Gigli; DE ANGELIS, Filippo
Structural and optical properties of innovative materials based on TiO2 inorganic semiconductors for photovoltaic and photocatalysis applications: a theoretical investigation,
2015 Nunzi, Francesca
Modeling Mesoporous Nanoparticulated TiO2Films through Nanopolyhedra Random Packing
2015 Storchi, Loriano; De Angelis, Filippo; Nunzi, Francesca
Structural and Electronic Properties of Photoexcited TiO2 Nanoparticles from First Principles
2015 Nunzi, Francesca; Agrawal, S.; Selloni, A.; De Angelis, F.
Structural and Electronic Properties of TiO2 Nanostructures from First Principles
2015 Nunzi, Francesca; De Angelis, Filippo
On the stability of helium compounds: insights from charge displacement analysis
2016 Nunzi, Francesca; Cesario, Diego; Tarantelli, Francesco; Belpassi, Leonardo
Ab Initio Simulation of the Absorption Spectra of Photoexcited Carriers in TiO2 Nanoparticles
2016 Nunzi, Francesca; DE ANGELIS, Filippo; Selloni, Annabella
Interaction of O2 with CH4, CF4, and CCl4 by Molecular Beam Scattering Experiments and Theoretical Calculations
2016 Cappelletti, David Michele; Aquilanti, Vincenzo; Bartocci, Alessio; Nunzi, Francesca; Tarantelli, Francesco; Belpassi, Leonardo; Pirani, Fernando
Helium Accepts Back-Donation In Highly Polar Complexes: New Insights into the Weak Chemical Bond
2017 Nunzi, Francesca; Cesario, Diego; Pirani, Fernando; Belpassi, Leonardo; Frenking, Gernot; Grandinetti, Felice; Tarantelli, Francesco
Nearly Monodisperse Insulator Cs4PbX6 (X = Cl, Br, I) Nanocrystals, Their Mixed Halide Compositions, and Their Transformation into CsPbX3 Nanocrystals
2017 Akkerman, Quinten A.; Park, Sungwook; Radicchi, Eros; Nunzi, Francesca; Mosconi, Edoardo; De Angelis, Filippo; Brescia, Rosaria; Rastogi, Prachi; Prato, Mirko; Manna, Liberato
Modelling Charge Transfer in Weak Chemical Bonds: Insights from the Chemistry of Helium
2018 Nunzi, Francesca; Cesario, Diego; Pirani, Fernando; Belpassi, Leonardo; Tarantelli, Francesco
Cooperative role of halogen and hydrogen bonding in the stabilization of water adducts with apolar molecules
2018 De Santis, M.; Nunzi, F.; Cesario, D.; Belpassi, L.; Tarantelli, F.; Cappelletti, D.; Pirani, F.
The role of the halogen bond in iodothyronine deiodinase: Dependence on chalcogen substitution in naphthyl-based mimetics
2019 Cesario, Diego; Fortino, Mariagrazia; Marino, Tiziana; Nunzi, Francesca; Russo, Nino; Sicilia, Emilia
Selective Emergence of the Halogen Bond in Ground and Excited States of Noble-Gas-Chlorine Systems
2019 Pirani, Fernando; Cappelletti, David; Falcinelli, Stefano; Cesario, Diego; Nunzi, Francesca; Belpassi, Leonardo; Tarantelli, Francesco
Understanding the Solution Chemistry of Lead Halide Perovskites Precursors
2019 Radicchi, E.; Mosconi, E.; Elisei, Fausto; Nunzi, F.; De Angelis, F.
Interface Electrostatics of Solid-State Dye-Sensitized Solar Cells: A Joint Drift-Diffusion and Density Functional Theory Study
2019 Singh, Ajay; Radicchi, Eros; Fantacci, Simona; Nunzi, Francesca; DE ANGELIS, Filippo; Gagliardi, Alessio
Insight into the halogen-bond nature of noble gas-chlorine systems by molecular beam scattering experiments, ab initio calculations and charge displacement analysis
2019 Nunzi, Francesca; Cesario, Diego; Belpassi, Leonardo; Tarantelli, Francesco; Roncaratti, Luiz F.; Falcinelli, Stefano; Cappelletti, David; Pirani, Fernando
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