FASULO, FRANCESCA
FASULO, FRANCESCA
DIPARTIMENTO DI FISICA "ETTORE PANCINI"
Colourless luminescent solar concentrators based on Iridium(III)-Phosphors
2021 Fiorini, V.; Monti, N.; Vigarani, G.; Santi, G.; Fasulo, F.; Massi, M.; Giorgini, L.; Munoz-Garcia, A. B.; Pavone, M.; Pucci, A.; Stagni, S.
Na uptake at TiO2 anatase surfaces under electric field control: A first-principles study
2022 Fasulo, F.; Massaro, A.; Munoz-Garcia, A. B.; Pavone, M.
Unexpected Imidazole Coordination to the Dirhodium Center in a Protein Environment: Insights from X-ray Crystallography and Quantum Chemistry
2022 Loreto, Domenico; Fasulo, Francesca; Munoz Garcia, Ana B.; Pavone, Michele; Merlino, Antonello
In Situ Formation of Zwitterionic Ligands: Changing the Passivation Paradigms of CsPbBr3 Nanocrystals
2022 Grisorio, Roberto; Fasulo, Francesca; Munoz Garcia, Ana B.; Pavone, Michele; Conelli, Daniele; Fanizza, Elisabetta; Striccoli, Marinella; Allegretta, Ignazio; Terzano, Roberto; Margiotta, Nicola; Vivo, Paola; Suranna, Gian Paolo
Dynamics of Water Dissociative Adsorption on TiO2Anatase (101) at Monolayer Coverage and Below
2022 Fasulo, F.; Piccini, G.; Munoz-Garcia, A. B.; Pavone, M.; Parrinello, M.
Triple A-Site Cation Mixing in 2D Perovskite-Inspired Antimony Halide Absorbers for Efficient Indoor Photovoltaics
2023 Lamminen, N.; Grandhi, G. K.; Fasulo, F.; Hiltunen, A.; Pasanen, H.; Liu, M.; Al-Anesi, B.; Efimov, A.; Ali-Loytty, H.; Lahtonen, K.; Makinen, P.; Matuhina, A.; Munoz-Garcia, A. B.; Pavone, M.; Vivo, P.
Vinylene carbonate reactivity at lithium metal surface: first-principles insights into the early steps of SEI formation
2023 Fasulo, F.; Munoz-Garcia, A. B.; Massaro, A.; Crescenzi, O.; Huang, C.; Pavone, M.
First-principles study of interfacial features and charge dynamics between spiro-MeOTAD and photoactive lead halide perovskites
2023 Pecoraro, Adriana; Fasulo, Francesca; Pavone, Michele; Munoz Garcia, Ana Belen
Less Is More: Simplified Fluorene-Based Dopant-Free Hole Transport Materials Promote the Long-Term Ambient Stability of Perovskite Solar Cells
2023 Makinen, P.; Fasulo, F.; Liu, M.; Grandhi, G. K.; Conelli, D.; Al-Anesi, B.; Ali-Loytty, H.; Lahtonen, K.; Toikkonen, S.; Suranna, G. P.; Munoz-Garcia, A. B.; Pavone, M.; Grisorio, R.; Vivo, P.
First-principles design of nanostructured electrode materials for Na-ion batteries: challenges and perspectives
2023 Massaro, Arianna; Fasulo, Francesca; Pecoraro, Adriana; Langella, Aniello; Muñoz-García, Ana B.; Pavone, Michele
Role of defect-driven surface reconstructions in transition metal oxide electrocatalysis towards OER/ORR: A quantum-mechanical perspective
2023 Fasulo, F.; Massaro, A.; Pecoraro, A.; Munoz-Garcia, A. B.; Pavone, M.
New Insights on Singlet Oxygen Release from Li-Air Battery Cathode: Periodic DFT Versus CASPT2 Embedded Cluster Calculations
2023 Fasulo, F.; Massaro, A.; Munoz-Garcia, A. B.; Pavone, M.
Exchange of Equatorial Ligands in Protein-bound Paddlewheel Ru25+ Complexes: New Insights form X-ray Crystallography and Quantum Chemistry
2024 Terán, Aarón; Fasulo, Francesca; Ferraro, Giarita; Sánchez-Peláez, Ana E.; Herrero Dominguez, Santiago; Pavone, Michele; Munoz-Garcia, Ana Belen; Merlino, Antonello
Unveiling the Role of Surface Ir-Oxo Species in O2 Evolution at IrO2 Electrocatalysts via Embedded Cluster Multireference Calculations
2024 Fasulo, F.; Mitra, A.; Munoz-Garcia, A. B.; Pavone, M.; Gagliardi, L.
Ab Initio Modeling of Layered Oxide High-Energy Cathodes for Na-Ion Batteries
2024 Massaro, Arianna; Fasulo, Francesca; Langella, Aniello; Muñoz-Garcia, Ana B.; Pavone, Michele
| Titolo | Tipologia | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|---|
| Colourless luminescent solar concentrators based on Iridium(III)-Phosphors | 1.1 Articolo in rivista | 2021 | Fiorini, V.; Monti, N.; Vigarani, G.; Santi, G.; Fasulo, F.; Massi, M.; Giorgini, L.; Munoz-Garcia, A. B.; Pavone, M.; Pucci, A.; Stagni, S. | |
| Na uptake at TiO2 anatase surfaces under electric field control: A first-principles study | 1.1 Articolo in rivista | 2022 | Fasulo, F.; Massaro, A.; Munoz-Garcia, A. B.; Pavone, M. | |
| Unexpected Imidazole Coordination to the Dirhodium Center in a Protein Environment: Insights from X-ray Crystallography and Quantum Chemistry | 1.1 Articolo in rivista | 2022 | Loreto, Domenico; Fasulo, Francesca; Munoz Garcia, Ana B.; Pavone, Michele; Merlino, Antonello | |
| In Situ Formation of Zwitterionic Ligands: Changing the Passivation Paradigms of CsPbBr3 Nanocrystals | 1.1 Articolo in rivista | 2022 | Grisorio, Roberto; Fasulo, Francesca; Munoz Garcia, Ana B.; Pavone, Michele; Conelli, Daniele; Fanizza, Elisabetta; Striccoli, Marinella; Allegretta, Ignazio; Terzano, Roberto; Margiotta, Nicola; Vivo, Paola; Suranna, Gian Paolo | |
| Dynamics of Water Dissociative Adsorption on TiO2Anatase (101) at Monolayer Coverage and Below | 1.1 Articolo in rivista | 2022 | Fasulo, F.; Piccini, G.; Munoz-Garcia, A. B.; Pavone, M.; Parrinello, M. | |
| Triple A-Site Cation Mixing in 2D Perovskite-Inspired Antimony Halide Absorbers for Efficient Indoor Photovoltaics | 1.1 Articolo in rivista | 2023 | Lamminen, N.; Grandhi, G. K.; Fasulo, F.; Hiltunen, A.; Pasanen, H.; Liu, M.; Al-Anesi, B.; Efimov, A.; Ali-Loytty, H.; Lahtonen, K.; Makinen, P.; Matuhina, A.; Munoz-Garcia, A. B.; Pavone, M.; Vivo, P. | |
| Vinylene carbonate reactivity at lithium metal surface: first-principles insights into the early steps of SEI formation | 1.1 Articolo in rivista | 2023 | Fasulo, F.; Munoz-Garcia, A. B.; Massaro, A.; Crescenzi, O.; Huang, C.; Pavone, M. | |
| First-principles study of interfacial features and charge dynamics between spiro-MeOTAD and photoactive lead halide perovskites | 1.1 Articolo in rivista | 2023 | Pecoraro, Adriana; Fasulo, Francesca; Pavone, Michele; Munoz Garcia, Ana Belen | |
| Less Is More: Simplified Fluorene-Based Dopant-Free Hole Transport Materials Promote the Long-Term Ambient Stability of Perovskite Solar Cells | 1.1 Articolo in rivista | 2023 | Makinen, P.; Fasulo, F.; Liu, M.; Grandhi, G. K.; Conelli, D.; Al-Anesi, B.; Ali-Loytty, H.; Lahtonen, K.; Toikkonen, S.; Suranna, G. P.; Munoz-Garcia, A. B.; Pavone, M.; Grisorio, R.; Vivo, P. | |
| First-principles design of nanostructured electrode materials for Na-ion batteries: challenges and perspectives | 1.1 Articolo in rivista | 2023 | Massaro, Arianna; Fasulo, Francesca; Pecoraro, Adriana; Langella, Aniello; Muñoz-García, Ana B.; Pavone, Michele | |
| Role of defect-driven surface reconstructions in transition metal oxide electrocatalysis towards OER/ORR: A quantum-mechanical perspective | 1.1 Articolo in rivista | 2023 | Fasulo, F.; Massaro, A.; Pecoraro, A.; Munoz-Garcia, A. B.; Pavone, M. | |
| New Insights on Singlet Oxygen Release from Li-Air Battery Cathode: Periodic DFT Versus CASPT2 Embedded Cluster Calculations | 1.1 Articolo in rivista | 2023 | Fasulo, F.; Massaro, A.; Munoz-Garcia, A. B.; Pavone, M. | |
| Exchange of Equatorial Ligands in Protein-bound Paddlewheel Ru25+ Complexes: New Insights form X-ray Crystallography and Quantum Chemistry | 1.1 Articolo in rivista | 2024 | Terán, Aarón; Fasulo, Francesca; Ferraro, Giarita; Sánchez-Peláez, Ana E.; Herrero Dominguez, Santiago; Pavone, Michele; Munoz-Garcia, Ana Belen; Merlino, Antonello | |
| Unveiling the Role of Surface Ir-Oxo Species in O2 Evolution at IrO2 Electrocatalysts via Embedded Cluster Multireference Calculations | 1.1 Articolo in rivista | 2024 | Fasulo, F.; Mitra, A.; Munoz-Garcia, A. B.; Pavone, M.; Gagliardi, L. | |
| Ab Initio Modeling of Layered Oxide High-Energy Cathodes for Na-Ion Batteries | 2.1 Contributo in volume (Capitolo o Saggio) | 2024 | Massaro, Arianna; Fasulo, Francesca; Langella, Aniello; Muñoz-Garcia, Ana B.; Pavone, Michele |