CAPPAI, ANTONIO
CAPPAI, ANTONIO
DIPARTIMENTO DI FISICA
A machine-learned interatomic potential for defects investigation in lead-free double perovskite Cs2NaYbCl6
2025-01-01 Dettori, Riccardo; Cappai, Antonio; Melis, Claudio; Colombo, Luciano
A Theoretical Investigation on Coupled Mass‐charge Transport in a Binary Fluid
2025-01-01 Cappai, Antonio; Loi, Daniele; Melis, Claudio; Colombo, Luciano
Role of electron-phonon scattering on thermoelectric coefficients in pristine Cs2NaYbCl6 perovskite: A full DFT approach
2025-01-01 Cappai, Antonio; Melis, Claudio; Colombo, Luciano
Thermal Conductivity of Graphene Moiré Superlattices at Small Twist Angles: An Approach-to-Equilibrium Molecular Dynamics and Boltzmann Transport Study
2025-01-01 Manunza, Lorenzo; Dettori, Riccardo; Cappai, Antonio; Melis, Claudio
Thermodynamics and kinetics of early stages of carbon dot formation: a case of citric acid and ethylenediamine reaction
2025-01-01 Pykal, Martin; Nociarová, Jela; Řeha, David; Filo, Juraj; Šebela, Marek; Zajíček, Petr; Paloncýová, Markéta; Olla, Chiara; Mocci, Francesca; Cappai, Antonio; Carbonaro, Carlo Maria; Baďura, Zdeněk; Zdražil, Lukáš; Zbořil, Radek; Rogach, Andrey L.; Medveď, Miroslav; Otyepka, Michal
An Ab Initio Investigation of Ultra‐Low Thermal Conductivity in Organically Functionalized TaS2${\rm TaS}_2$
2024-01-01 Siddi, Francesco; Cappai, Antonio; Colombo, Luciano; Melis, Claudio
Fisica degli atomi, delle molecole e dei solidi: Esercizi sulla struttura della materia con soluzioni commentate
2024-01-01 Cappai, Antonio; Colombo, Luciano; Panai, Robert
Graphene quantum dots and carbon nanodots: modeling of zero-dimensional carbon nanomaterials
2024-01-01 Carbonaro, CARLO MARIA; Engelbrecht, Leon; Olla, Chiara; Cappai, Antonio; Maria, ; Casula, Francesca; Melis, Claudio; Stagi, Luigi; Laaksonen, Aatto; Mocci, Francesca
Introducing the concept of generalized thermal diffusivity to understand coupled heat–charge transport in ionic solutions
2024-01-01 Cappai, Antonio; Dettori, Riccardo; Marini, Federica; Melis, Claudio; Colombo, Luciano
Manipulating molecular orientation in vapor-deposited organic semiconductor glasses via in situ electric fields: a molecular dynamics study
2024-01-01 Rodríguez-López, Marta; Gonzalez-Silveira, Marta; Cappai, Antonio; Dettori, Riccardo; Rodríguez-Tinoco, Cristian; Melis, Claudio; Colombo, Luciano; Rodríguez-Viejo, Javier
Modeling the Coupled Mass‐Heat Transport in Lennard–Jones‐Like Binary Mixtures by Approach‐to‐Equilibrium Molecular Dynamics
2024-01-01 Cappai, Antonio; Colombo, Luciano; Melis, Claudio
Slow magnetic relaxation in a heteroleptic anilate-based DyIII metal–organic framework
2024-01-01 Oggianu, Mariangela; Bertolotti, Federica; Manna, Fabio; Congiu, Francesco; Cappai, Antonio; Melis, Claudio; Concas, Giorgio; Avarvari, Narcis; Masciocchi, Norberto; Mercuri, Maria Laura
Exploring the Impact of Nitrogen Doping on the Optical Properties of Carbon Dots Synthesized from Citric Acid
2023-01-01 Olla, Chiara; Cappai, Antonio; Porcu, Stefania; Stagi, Luigi; Fantauzzi, Marzia; Casula, Maria Francesca; Mocci, Francesca; Corpino, Riccardo; Chiriu, Daniele; Ricci, Pier Carlo; Carbonaro, Carlo Maria
Molecular Dynamics Simulations of Thermal Transport in Solid State Systems
2023-01-01 Cappai, Antonio; Melis, Claudio; Colombo, Luciano; Dettori, Riccardo
Phosphorescence by Trapping Defects in Boric Acid Induced by Thermal Processing
2023-01-01 Stagi, L; Malfatti, L; Zollo, A; Livraghi, S; Carboni, D; Chiriu, D; Corpino, R; Ricci, Pc; Cappai, A; Carbonaro, Cm; Enzo, S; Khaleel, A; Adamson, A; Gervais, C; Falqui, A; Innocenzi, P
Selecting molecular or surface centers in carbon dots-silica hybrids to tune the optical emission: A photo-physics study down to the atomistic level
2023-01-01 Olla, Chiara; Ricci, Pier Carlo; Chiriu, Daniele; Fantauzzi, Marzia; Casula, Maria Francesca; Mocci, Francesca; Cappai, Antonio; Porcu, Stefania; Stagi, Luigi; Carbonaro, Carlo Maria
Strong Anharmonicity at the Origin of Anomalous Thermal Conductivity in Double Perovskite Cs2 NaYbCl6
2023-01-01 Cappai, Antonio; Melis, Claudio; Marongiu, Daniela; Quochi, Francesco; Saba, Michele; Congiu, Francesco; He, Yihui; Slade, Tyler J; Kanatzidis, Mercouri G; Colombo, Luciano
Carbon Nanodots from an In Silico Perspective
2022-01-01 Mocci, Francesca; de Villiers Engelbrecht, Leon; Olla, Chiara; Cappai, Antonio; Casula, Maria Francesca; Melis, Claudio; Stagi, Luigi; Laaksonen, Aatto; Carbonaro, Carlo Maria
Atomistic investigation of conjugated polymers for thermoelectric applications: from morphology to transport properties
2021-02-08
Formation of citrazinic acid ions and their contribution to optical and magnetic features of carbon nanodots: A combined experimental and computational approach
2021-01-01 Mocci, F.; Olla, C.; Cappai, A.; Corpino, R.; Ricci, P. C.; Chiriu, D.; Salis, M.; Carbonaro, C. M.
| Titolo | Data di pubblicazione | Autore(i) | Rivista | Editore |
|---|---|---|---|---|
| A machine-learned interatomic potential for defects investigation in lead-free double perovskite Cs2NaYbCl6 | 1-gen-2025 | Dettori, Riccardo; Cappai, Antonio; Melis, Claudio; Colombo, Luciano | NANO EXPRESS | - |
| A Theoretical Investigation on Coupled Mass‐charge Transport in a Binary Fluid | 1-gen-2025 | Cappai, Antonio; Loi, Daniele; Melis, Claudio; Colombo, Luciano | ADVANCED THEORY AND SIMULATIONS | - |
| Role of electron-phonon scattering on thermoelectric coefficients in pristine Cs2NaYbCl6 perovskite: A full DFT approach | 1-gen-2025 | Cappai, Antonio; Melis, Claudio; Colombo, Luciano | PHYSICAL REVIEW MATERIALS | - |
| Thermal Conductivity of Graphene Moiré Superlattices at Small Twist Angles: An Approach-to-Equilibrium Molecular Dynamics and Boltzmann Transport Study | 1-gen-2025 | Manunza, Lorenzo; Dettori, Riccardo; Cappai, Antonio; Melis, Claudio | C | - |
| Thermodynamics and kinetics of early stages of carbon dot formation: a case of citric acid and ethylenediamine reaction | 1-gen-2025 | Pykal, Martin; Nociarová, Jela; Řeha, David; Filo, Juraj; Šebela, Marek; Zajíček, Petr; Paloncýová, Markéta; Olla, Chiara; Mocci, Francesca; Cappai, Antonio; Carbonaro, Carlo Maria; Baďura, Zdeněk; Zdražil, Lukáš; Zbořil, Radek; Rogach, Andrey L.; Medveď, Miroslav; Otyepka, Michal | NANOSCALE | - |
| An Ab Initio Investigation of Ultra‐Low Thermal Conductivity in Organically Functionalized TaS2${\rm TaS}_2$ | 1-gen-2024 | Siddi, Francesco; Cappai, Antonio; Colombo, Luciano; Melis, Claudio | ADVANCED THEORY AND SIMULATIONS | - |
| Fisica degli atomi, delle molecole e dei solidi: Esercizi sulla struttura della materia con soluzioni commentate | 1-gen-2024 | Cappai, Antonio; Colombo, Luciano; Panai, Robert | - | UNICApress |
| Graphene quantum dots and carbon nanodots: modeling of zero-dimensional carbon nanomaterials | 1-gen-2024 | Carbonaro, CARLO MARIA; Engelbrecht, Leon; Olla, Chiara; Cappai, Antonio; Maria, ; Casula, Francesca; Melis, Claudio; Stagi, Luigi; Laaksonen, Aatto; Mocci, Francesca | - | Woodhead Publishing; Elsevier |
| Introducing the concept of generalized thermal diffusivity to understand coupled heat–charge transport in ionic solutions | 1-gen-2024 | Cappai, Antonio; Dettori, Riccardo; Marini, Federica; Melis, Claudio; Colombo, Luciano | APPLIED PHYSICS LETTERS | - |
| Manipulating molecular orientation in vapor-deposited organic semiconductor glasses via in situ electric fields: a molecular dynamics study | 1-gen-2024 | Rodríguez-López, Marta; Gonzalez-Silveira, Marta; Cappai, Antonio; Dettori, Riccardo; Rodríguez-Tinoco, Cristian; Melis, Claudio; Colombo, Luciano; Rodríguez-Viejo, Javier | JOURNAL OF MATERIALS CHEMISTRY. C | - |
| Modeling the Coupled Mass‐Heat Transport in Lennard–Jones‐Like Binary Mixtures by Approach‐to‐Equilibrium Molecular Dynamics | 1-gen-2024 | Cappai, Antonio; Colombo, Luciano; Melis, Claudio | ADVANCED THEORY AND SIMULATIONS | - |
| Slow magnetic relaxation in a heteroleptic anilate-based DyIII metal–organic framework | 1-gen-2024 | Oggianu, Mariangela; Bertolotti, Federica; Manna, Fabio; Congiu, Francesco; Cappai, Antonio; Melis, Claudio; Concas, Giorgio; Avarvari, Narcis; Masciocchi, Norberto; Mercuri, Maria Laura | DALTON TRANSACTIONS | - |
| Exploring the Impact of Nitrogen Doping on the Optical Properties of Carbon Dots Synthesized from Citric Acid | 1-gen-2023 | Olla, Chiara; Cappai, Antonio; Porcu, Stefania; Stagi, Luigi; Fantauzzi, Marzia; Casula, Maria Francesca; Mocci, Francesca; Corpino, Riccardo; Chiriu, Daniele; Ricci, Pier Carlo; Carbonaro, Carlo Maria | NANOMATERIALS | - |
| Molecular Dynamics Simulations of Thermal Transport in Solid State Systems | 1-gen-2023 | Cappai, Antonio; Melis, Claudio; Colombo, Luciano; Dettori, Riccardo | - | Elsevier |
| Phosphorescence by Trapping Defects in Boric Acid Induced by Thermal Processing | 1-gen-2023 | Stagi, L; Malfatti, L; Zollo, A; Livraghi, S; Carboni, D; Chiriu, D; Corpino, R; Ricci, Pc; Cappai, A; Carbonaro, Cm; Enzo, S; Khaleel, A; Adamson, A; Gervais, C; Falqui, A; Innocenzi, P | ADVANCED OPTICAL MATERIALS | - |
| Selecting molecular or surface centers in carbon dots-silica hybrids to tune the optical emission: A photo-physics study down to the atomistic level | 1-gen-2023 | Olla, Chiara; Ricci, Pier Carlo; Chiriu, Daniele; Fantauzzi, Marzia; Casula, Maria Francesca; Mocci, Francesca; Cappai, Antonio; Porcu, Stefania; Stagi, Luigi; Carbonaro, Carlo Maria | JOURNAL OF COLLOID AND INTERFACE SCIENCE | - |
| Strong Anharmonicity at the Origin of Anomalous Thermal Conductivity in Double Perovskite Cs2 NaYbCl6 | 1-gen-2023 | Cappai, Antonio; Melis, Claudio; Marongiu, Daniela; Quochi, Francesco; Saba, Michele; Congiu, Francesco; He, Yihui; Slade, Tyler J; Kanatzidis, Mercouri G; Colombo, Luciano | ADVANCED SCIENCE | - |
| Carbon Nanodots from an In Silico Perspective | 1-gen-2022 | Mocci, Francesca; de Villiers Engelbrecht, Leon; Olla, Chiara; Cappai, Antonio; Casula, Maria Francesca; Melis, Claudio; Stagi, Luigi; Laaksonen, Aatto; Carbonaro, Carlo Maria | CHEMICAL REVIEWS | - |
| Atomistic investigation of conjugated polymers for thermoelectric applications: from morphology to transport properties | 8-feb-2021 | - | - | Università degli Studi di Cagliari |
| Formation of citrazinic acid ions and their contribution to optical and magnetic features of carbon nanodots: A combined experimental and computational approach | 1-gen-2021 | Mocci, F.; Olla, C.; Cappai, A.; Corpino, R.; Ricci, P. C.; Chiriu, D.; Salis, M.; Carbonaro, C. M. | MATERIALS | - |