D'AMORE, MADDALENA
D'AMORE, MADDALENA
CHIMICA
A computational study of the negative LiIn modified anode and its interaction with β-Li3PS4 solid–electrolyte for battery applications
2024-01-01 Marana, Naiara Leticia; Silveri, Fabrizio; de Oliveira Gomes, Eduardo; Donà, Lorenzo; D'Amore, Maddalena; Ascrizzi, Eleonora; Sgroi, Mauro Francesco; Maschio, Lorenzo; Ferrari, Anna Maria
Characterization and Modeling of Reversible CO2 Capture from Wet Streams by a MgO/Zeolite Y Nanocomposite
2019-01-01 Signorile, Matteo; Vitillo, Jenny G.; D’Amore, Maddalena; Crocellà, Valentina; Ricchiardi, Gabriele; Bordiga, Silvia
Characterization of the negatively charged NV defect through the spin density distribution and the hyperfine coupling constants
2022-01-01 Ferrari A.M.; El-Kelany K.E.; Gentile F.S.; D'Amore M.; Romeo E.; Dovesi R.
Computational Characterization of β-Li3PS4 Solid Electrolyte: From Bulk and Surfaces to Nanocrystals
2022-01-01 Marana, Naiara Leticia; Sgroi, Mauro Francesco; Maschio, Lorenzo; Ferrari, Anna Maria; D'Amore, Maddalena; Casassa, Silvia
Computational Understanding of Delithiation, Overlithiation, and Transport Properties in Disordered Cubic Rock-Salt Type Li2TiS3
2023-01-01 Rocca, Riccardo; Sgroi, Mauro Francesco; D’amore, Maddalena; Li Pira, Nello; Ferrari, Anna Maria
Disordered Rock-Salt Type Li2TiS3 as Novel Cathode for LIBs: A Computational Point of View
2022-01-01 Rocca R.; Sgroi M.F.; Camino B.; D'amore M.; Ferrari A.M.
Effect of Internal Donors on Raman and IR Spectroscopic Fingerprints of MgCl2/TiCl4 Nanoclusters Determined by Machine Learning and DFT
2022-01-01 D’Amore, Maddalena; Taniike, Toshiaki; Terano, Minoru; Ferrari, Anna Maria
Elucidating the Interaction of CO2 in the Giant Metal-Organic Framework MIL-100 through Large-Scale Periodic Ab Initio Modeling
2019-01-01 D'Amore M.; Civalleri B.; Bush I.J.; Albanese E.; Ferrabone M.
From symmetry breaking in the bulk to phase transitions at the surface: a quantum-mechanical exploration of Li6PS5Cl argyrodite superionic conductor
2022-01-01 D'Amore, Maddalena; Daga, Loredana Edith; Rocca, Riccardo; Sgroi, Mauro Francesco; Marana, Naiara Leticia; Casassa, Silvia Maria; Maschio, Lorenzo; Ferrari, Anna Maria
Inelastic Neutron Scattering Investigation of MgCl2Nanoparticle-Based Ziegler-Natta Catalysts for Olefin Polymerization
2020-01-01 D'Amore M.; Piovano A.; Vottero E.; Piovano A.; Rudic S.; Erba A.; Groppo E.; Civalleri B.
Nitrogen substitutional defects in silicon. A quantum mechanical investigation of the structural, electronic and vibrational properties
2019-01-01 Platonenko A.; Gentile F.S.; Pascale F.; Ferrari A.M.; D'Amore M.; Dovesi R.
On the Stability of the Interface between Li2TiS3 Cathode and Li6PS5Cl Solid State Electrolytes for Battery Applications: A DFT Study
2024-01-01 Rocca, Riccardo; Marana, Naiara Leticia; Silveri, Fabrizio; D'Amore, Maddalena; Ascrizzi, Eleonora; Sgroi, Mauro Francesco; Li Pira, Nello; Ferrari, Anna Maria
On the Structure of Superbasic (MgO)n sites solvated in a Faujasite Zeolite
2018-01-01 Vitillo, Jenny Grazia; Fjermestad, Torstein; D'Amore, Maddalena; Milanesio, Marco; Palin, Luca; Ricchiardi, Gabriele; Bordiga, Silvia
Path ahead: Tackling the Challenge of Computationally Estimating Lithium Diffusion in Cathode Materials
2024-01-01 Bonometti, Laura; Daga, Loredana E.; Rocca, Riccardo; Marana, Naiara L.; Casassa, Silvia; D'Amore, Maddalena; Laasonen, Kari; Petit, Martin; Silveri, Fabrizio; Sgroi, Mauro F.; Ferrari, Anna M.; Maschio, Lorenzo
Probing the Coordinative Unsaturation and Local Environment of Ti3+ Sites in an Activated High-Yield Ziegler-Natta Catalyst
2015-01-01 Morra, Elena; Giamello, Elio; Van Doorslaer, Sabine; Antinucci, Giuseppe; D'Amore, Maddalena; Busico, Vincenzo; Chiesa, Mario
Quasi-Hexagonal to Lepidocrocite-like Transition in TiO2Ultrathin Films on Cu(001)
2021-01-01 Sorrentino A.L.; Serrano G.; Poggini L.; Cortigiani B.; El-Kelany K.E.; D'Amore M.; Ferrari A.M.; Atrei A.; Caneschi A.; Sessoli R.; Mannini M.
Revisiting the identity of δ-MgCl2: Part I. Structural disorder studied by synchrotron X-ray total scattering
2020-01-01 Wada T.; Takasao G.; Piovano A.; D'Amore M.; Thakur A.; Chammingkwan P.; Bruzzese P.C.; Terano M.; Civalleri B.; Bordiga S.; Groppo E.; Taniike T.
Revisiting the identity of δ-MgCl2: Part II. Morphology and exposed surfaces studied by vibrational spectroscopies and DFT calculation
2020-01-01 Piovano, Alessandro; D'Amore, Maddalena; Wada, Toru; Cleto Bruzzese, Paolo; Takasao, Gentoku; Thakur, Ashutosh; Chammingkwan, Patchanee; Terano, Minoru; Civalleri, Bartolomeo; Bordiga, Silvia; Taniike, Toshiaki; Groppo, Elena
Spectroscopic Evidences for TiCl4/Donor Complexes on the Surface of MgCl2-Supported Ziegler-Natta Catalysts
2018-01-01 Piovano, Alessandro; D'Amore, Maddalena*; Thushara, K.S.; Groppo, Elena
Spectroscopic Fingerprints of MgCl2/TiCl4Nanoclusters Determined by Machine Learning and DFT
2021-01-01 D'amore M.; Takasao G.; Chikuma H.; Wada T.; Taniike T.; Pascale F.; Ferrari A.M.
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| A computational study of the negative LiIn modified anode and its interaction with β-Li3PS4 solid–electrolyte for battery applications | 2024 | Marana, Naiara Leticia; Silveri, Fabrizio; de Oliveira Gomes, Eduardo; Donà, Lorenzo; D'Amore, Maddalena; Ascrizzi, Eleonora; Sgroi, Mauro Francesco; Maschio, Lorenzo; Ferrari, Anna Maria | |
| Characterization and Modeling of Reversible CO2 Capture from Wet Streams by a MgO/Zeolite Y Nanocomposite | 2019 | Signorile, Matteo; Vitillo, Jenny G.; D’Amore, Maddalena; Crocellà, Valentina; Ricchiardi, Gabriele; Bordiga, Silvia | |
| Characterization of the negatively charged NV defect through the spin density distribution and the hyperfine coupling constants | 2022 | Ferrari A.M.; El-Kelany K.E.; Gentile F.S.; D'Amore M.; Romeo E.; Dovesi R. | |
| Computational Characterization of β-Li3PS4 Solid Electrolyte: From Bulk and Surfaces to Nanocrystals | 2022 | Marana, Naiara Leticia; Sgroi, Mauro Francesco; Maschio, Lorenzo; Ferrari, Anna Maria; D'Amore, Maddalena; Casassa, Silvia | |
| Computational Understanding of Delithiation, Overlithiation, and Transport Properties in Disordered Cubic Rock-Salt Type Li2TiS3 | 2023 | Rocca, Riccardo; Sgroi, Mauro Francesco; D’amore, Maddalena; Li Pira, Nello; Ferrari, Anna Maria | |
| Disordered Rock-Salt Type Li2TiS3 as Novel Cathode for LIBs: A Computational Point of View | 2022 | Rocca R.; Sgroi M.F.; Camino B.; D'amore M.; Ferrari A.M. | |
| Effect of Internal Donors on Raman and IR Spectroscopic Fingerprints of MgCl2/TiCl4 Nanoclusters Determined by Machine Learning and DFT | 2022 | D’Amore, Maddalena; Taniike, Toshiaki; Terano, Minoru; Ferrari, Anna Maria | |
| Elucidating the Interaction of CO2 in the Giant Metal-Organic Framework MIL-100 through Large-Scale Periodic Ab Initio Modeling | 2019 | D'Amore M.; Civalleri B.; Bush I.J.; Albanese E.; Ferrabone M. | |
| From symmetry breaking in the bulk to phase transitions at the surface: a quantum-mechanical exploration of Li6PS5Cl argyrodite superionic conductor | 2022 | D'Amore, Maddalena; Daga, Loredana Edith; Rocca, Riccardo; Sgroi, Mauro Francesco; Marana, Naiara Leticia; Casassa, Silvia Maria; Maschio, Lorenzo; Ferrari, Anna Maria | |
| Inelastic Neutron Scattering Investigation of MgCl2Nanoparticle-Based Ziegler-Natta Catalysts for Olefin Polymerization | 2020 | D'Amore M.; Piovano A.; Vottero E.; Piovano A.; Rudic S.; Erba A.; Groppo E.; Civalleri B. | |
| Nitrogen substitutional defects in silicon. A quantum mechanical investigation of the structural, electronic and vibrational properties | 2019 | Platonenko A.; Gentile F.S.; Pascale F.; Ferrari A.M.; D'Amore M.; Dovesi R. | |
| On the Stability of the Interface between Li2TiS3 Cathode and Li6PS5Cl Solid State Electrolytes for Battery Applications: A DFT Study | 2024 | Rocca, Riccardo; Marana, Naiara Leticia; Silveri, Fabrizio; D'Amore, Maddalena; Ascrizzi, Eleonora; Sgroi, Mauro Francesco; Li Pira, Nello; Ferrari, Anna Maria | |
| On the Structure of Superbasic (MgO)n sites solvated in a Faujasite Zeolite | 2018 | Vitillo, Jenny Grazia; Fjermestad, Torstein; D'Amore, Maddalena; Milanesio, Marco; Palin, Luca; Ricchiardi, Gabriele; Bordiga, Silvia | |
| Path ahead: Tackling the Challenge of Computationally Estimating Lithium Diffusion in Cathode Materials | 2024 | Bonometti, Laura; Daga, Loredana E.; Rocca, Riccardo; Marana, Naiara L.; Casassa, Silvia; D'Amore, Maddalena; Laasonen, Kari; Petit, Martin; Silveri, Fabrizio; Sgroi, Mauro F.; Ferrari, Anna M.; Maschio, Lorenzo | |
| Probing the Coordinative Unsaturation and Local Environment of Ti3+ Sites in an Activated High-Yield Ziegler-Natta Catalyst | 2015 | Morra, Elena; Giamello, Elio; Van Doorslaer, Sabine; Antinucci, Giuseppe; D'Amore, Maddalena; Busico, Vincenzo; Chiesa, Mario | |
| Quasi-Hexagonal to Lepidocrocite-like Transition in TiO2Ultrathin Films on Cu(001) | 2021 | Sorrentino A.L.; Serrano G.; Poggini L.; Cortigiani B.; El-Kelany K.E.; D'Amore M.; Ferrari A.M.; Atrei A.; Caneschi A.; Sessoli R.; Mannini M. | |
| Revisiting the identity of δ-MgCl2: Part I. Structural disorder studied by synchrotron X-ray total scattering | 2020 | Wada T.; Takasao G.; Piovano A.; D'Amore M.; Thakur A.; Chammingkwan P.; Bruzzese P.C.; Terano M.; Civalleri B.; Bordiga S.; Groppo E.; Taniike T. | |
| Revisiting the identity of δ-MgCl2: Part II. Morphology and exposed surfaces studied by vibrational spectroscopies and DFT calculation | 2020 | Piovano, Alessandro; D'Amore, Maddalena; Wada, Toru; Cleto Bruzzese, Paolo; Takasao, Gentoku; Thakur, Ashutosh; Chammingkwan, Patchanee; Terano, Minoru; Civalleri, Bartolomeo; Bordiga, Silvia; Taniike, Toshiaki; Groppo, Elena | |
| Spectroscopic Evidences for TiCl4/Donor Complexes on the Surface of MgCl2-Supported Ziegler-Natta Catalysts | 2018 | Piovano, Alessandro; D'Amore, Maddalena*; Thushara, K.S.; Groppo, Elena | |
| Spectroscopic Fingerprints of MgCl2/TiCl4Nanoclusters Determined by Machine Learning and DFT | 2021 | D'amore M.; Takasao G.; Chikuma H.; Wada T.; Taniike T.; Pascale F.; Ferrari A.M. |