PETROSELLI, MARINA
PETROSELLI, MARINA
Dipartimento Ingegneria dell'Informazione
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Electronic structure of 1,4-Phenylenediacrylic acid on graphene and bilayer graphite: from experiments to DFT and ab initio molecular dynamics simulations
2025-01-01 Mohebbi, Elaheh; Pavoni, Eleonora; Stipa, Pierluigi; Petroselli, Marina; Minnelli, Cristina; Pierantoni, Luca; Mencarelli, Davide; Aldrigo, Martino; Laudadio, Emiliano; Seyyed Fakhrabadi, Mir Masoud
First principles simulations of transition metals for diodes: challenges and approaches to overcome inaccuracies in calculations
2026-01-01 Petroselli, Marina; Mohebbi, Elaheh; Pavoni, Eleonora; Stipa, Pierluigi; Mencarelli, Davide; Laudadio, Emiliano; Pierantoni, Luca
Reliable prediction of the band gap properties of graphene buffer layer on SiC using meta-GGA approximation
2025-01-01 Mohebbi, Elaheh; Pavoni, Eleonora; Stipa, Pierluigi; Petroselli, Marina; Pierantoni, Luca; Laudadio, Emiliano; Mencarelli, Davide
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Electronic structure of 1,4-Phenylenediacrylic acid on graphene and bilayer graphite: from experiments to DFT and ab initio molecular dynamics simulations | 1-gen-2025 | Mohebbi, Elaheh; Pavoni, Eleonora; Stipa, Pierluigi; Petroselli, Marina; Minnelli, Cristina; Pierantoni, Luca; Mencarelli, Davide; Aldrigo, Martino; Laudadio, Emiliano; Seyyed Fakhrabadi, Mir Masoud | |
| First principles simulations of transition metals for diodes: challenges and approaches to overcome inaccuracies in calculations | 1-gen-2026 | Petroselli, Marina; Mohebbi, Elaheh; Pavoni, Eleonora; Stipa, Pierluigi; Mencarelli, Davide; Laudadio, Emiliano; Pierantoni, Luca | |
| Reliable prediction of the band gap properties of graphene buffer layer on SiC using meta-GGA approximation | 1-gen-2025 | Mohebbi, Elaheh; Pavoni, Eleonora; Stipa, Pierluigi; Petroselli, Marina; Pierantoni, Luca; Laudadio, Emiliano; Mencarelli, Davide |