FRACCAROLLO, Alberto
FRACCAROLLO, Alberto
Ab initio design of low band gap 2D tin organohalide perovskites
2018-01-01 Fraccarollo, Alberto; Marchese, Leonardo; Cossi, Maurizio
Ab initio modeling of 2D and quasi-2D lead organohalide perovskites with divalent organic cations and a tunable band gap
2020-01-01 Fraccarollo, A.; Zoccante, A.; Marchese, L.; Cossi, M.
Ab initio modeling of 2D layered organohalide lead perovskites
2016-01-01 Fraccarollo, Alberto; Cantatore, Valentina; Boschetto, Gabriele; Marchese, Leonardo; Cossi, Maurizio
Accurate Evaluation of the Dispersion Energy in the Simulation of Gas Adsorption into Porous Zeolites
2017-01-01 Cossi, Maurizio; Canti, Lorenzo; Fraccarollo, Alberto; Marchese, Leonardo
An atomistic model of a disordered nanoporous solid: Interplay between Monte Carlo simulations and gas adsorption experiments
2017-01-01 Canti, Lorenzo; Fraccarollo, Alberto; Gatti, Giorgio; Errahali, Mina; Marchese, Leonardo; Cossi, Maurizio
Density Functional Theory Modeling of PbSe Nanoclusters: Effect of Surface Passivation on Shape and Composition
2011-01-01 Argeri, Mario; Fraccarollo, Alberto; Grassi, Fabio; Marchese, Leonardo; Cossi, Maurizio
DFT simulation of Mg/Al hydrotalcite with different intercalated anions: Periodic structure and solvating effects on the iodide/triiodide redox couple
2010-01-01 Fraccarollo, Alberto; Cossi, Maurizio; Marchese, Leonardo
First principles study of 2D layered organohalide tin perovskites
2017-01-01 Fraccarollo, Alberto; Canti, Lorenzo; Marchese, Leonardo; Cossi, Maurizio
Influence of silicodactyly in the preparation of hybrid materials
2019-01-01 Ivaldi, Chiara; Miletto, Ivana; Paul, Geo; Giovenzana, Giovanni B.; Fraccarollo, Alberto; Cossi, Maurizio; Marchese, Leonardo; Gianotti, Enrica
Mesoporous silica nanoparticles incorporating squaraine-based photosensitizers: A combined experimental and computational approach
2018-01-01 Miletto, Ivana; Fraccarollo, Alberto; Barbero, Nadia; Barolo, Claudia; Cossi, Maurizio; Marchese, Leonardo; Gianotti, Enrica
Microporous Hyper-Cross-Linked Aromatic Polymers Designed for Methane and Carbon Dioxide Adsorption
2014-01-01 Errahali, Mina; Gatti, Giorgio; Tei, Lorenzo; Paul, Geo; Rolla, Gabriele Alessandro; Canti, Lorenzo; Fraccarollo, Alberto; Cossi, Maurizio; A., Comotti; P., Sozzani; Marchese, Leonardo
Monte Carlo modeling of carbon dioxide adsorption in porous aromatic frameworks
2014-01-01 Fraccarollo, Alberto; Canti, Lorenzo; Marchese, Leonardo; Cossi, Maurizio
Porous dipeptide crystals as selective CO2 adsorbents: experimental isotherms vs. grand canonical Monte Carlo simulations and MAS NMR spectroscopy
2013-01-01 Comotti, Angiolina; Fraccarollo, Alberto; Bracco, Silvia; Beretta, Mario; Distefano, Gaetano; Cossi, Maurizio; Marchese, Leonardo; Riccardi, Claudia; Sozzani, Piero
Predicting the Conformation of Organic Catalysts Grafted on Silica Surfaces with Different Numbers of Tethering Chains: The Silicopodality Concept
2021-01-01 Miletto, I.; Ivaldi, C.; Gianotti, E.; Paul, G.; Travagin, F.; Giovenzana, G. B.; Fraccarollo, A.; Marchi, D.; Marchese, L.; Cossi, M.
Understanding methane adsorption in porous aromatic frameworks: An FTIR, Raman, and theoretical combined study
2014-01-01 Errahali, Mina; Gatti, Giorgio; Tei, Lorenzo; Canti, Lorenzo; Fraccarollo, Alberto; Cossi, Maurizio; Marchese, Leonardo
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Ab initio design of low band gap 2D tin organohalide perovskites | 1-gen-2018 | Fraccarollo, Alberto; Marchese, Leonardo; Cossi, Maurizio | |
| Ab initio modeling of 2D and quasi-2D lead organohalide perovskites with divalent organic cations and a tunable band gap | 1-gen-2020 | Fraccarollo, A.; Zoccante, A.; Marchese, L.; Cossi, M. | |
| Ab initio modeling of 2D layered organohalide lead perovskites | 1-gen-2016 | Fraccarollo, Alberto; Cantatore, Valentina; Boschetto, Gabriele; Marchese, Leonardo; Cossi, Maurizio | |
| Accurate Evaluation of the Dispersion Energy in the Simulation of Gas Adsorption into Porous Zeolites | 1-gen-2017 | Cossi, Maurizio; Canti, Lorenzo; Fraccarollo, Alberto; Marchese, Leonardo | |
| An atomistic model of a disordered nanoporous solid: Interplay between Monte Carlo simulations and gas adsorption experiments | 1-gen-2017 | Canti, Lorenzo; Fraccarollo, Alberto; Gatti, Giorgio; Errahali, Mina; Marchese, Leonardo; Cossi, Maurizio | |
| Density Functional Theory Modeling of PbSe Nanoclusters: Effect of Surface Passivation on Shape and Composition | 1-gen-2011 | Argeri, Mario; Fraccarollo, Alberto; Grassi, Fabio; Marchese, Leonardo; Cossi, Maurizio | |
| DFT simulation of Mg/Al hydrotalcite with different intercalated anions: Periodic structure and solvating effects on the iodide/triiodide redox couple | 1-gen-2010 | Fraccarollo, Alberto; Cossi, Maurizio; Marchese, Leonardo | |
| First principles study of 2D layered organohalide tin perovskites | 1-gen-2017 | Fraccarollo, Alberto; Canti, Lorenzo; Marchese, Leonardo; Cossi, Maurizio | |
| Influence of silicodactyly in the preparation of hybrid materials | 1-gen-2019 | Ivaldi, Chiara; Miletto, Ivana; Paul, Geo; Giovenzana, Giovanni B.; Fraccarollo, Alberto; Cossi, Maurizio; Marchese, Leonardo; Gianotti, Enrica | |
| Mesoporous silica nanoparticles incorporating squaraine-based photosensitizers: A combined experimental and computational approach | 1-gen-2018 | Miletto, Ivana; Fraccarollo, Alberto; Barbero, Nadia; Barolo, Claudia; Cossi, Maurizio; Marchese, Leonardo; Gianotti, Enrica | |
| Microporous Hyper-Cross-Linked Aromatic Polymers Designed for Methane and Carbon Dioxide Adsorption | 1-gen-2014 | Errahali, Mina; Gatti, Giorgio; Tei, Lorenzo; Paul, Geo; Rolla, Gabriele Alessandro; Canti, Lorenzo; Fraccarollo, Alberto; Cossi, Maurizio; A., Comotti; P., Sozzani; Marchese, Leonardo | |
| Monte Carlo modeling of carbon dioxide adsorption in porous aromatic frameworks | 1-gen-2014 | Fraccarollo, Alberto; Canti, Lorenzo; Marchese, Leonardo; Cossi, Maurizio | |
| Porous dipeptide crystals as selective CO2 adsorbents: experimental isotherms vs. grand canonical Monte Carlo simulations and MAS NMR spectroscopy | 1-gen-2013 | Comotti, Angiolina; Fraccarollo, Alberto; Bracco, Silvia; Beretta, Mario; Distefano, Gaetano; Cossi, Maurizio; Marchese, Leonardo; Riccardi, Claudia; Sozzani, Piero | |
| Predicting the Conformation of Organic Catalysts Grafted on Silica Surfaces with Different Numbers of Tethering Chains: The Silicopodality Concept | 1-gen-2021 | Miletto, I.; Ivaldi, C.; Gianotti, E.; Paul, G.; Travagin, F.; Giovenzana, G. B.; Fraccarollo, A.; Marchi, D.; Marchese, L.; Cossi, M. | |
| Understanding methane adsorption in porous aromatic frameworks: An FTIR, Raman, and theoretical combined study | 1-gen-2014 | Errahali, Mina; Gatti, Giorgio; Tei, Lorenzo; Canti, Lorenzo; Fraccarollo, Alberto; Cossi, Maurizio; Marchese, Leonardo |