| Singlet fission molecules among known compounds: finding a few needles in a haystack D Padula, ÖH Omar, T Nematiaram, A Troisi Energy & Environmental Science 12 (8), 2412-2416, 2019 | 81 | 2019 |
| Practical computation of the charge mobility in molecular semiconductors using transient localization theory T Nematiaram, S Ciuchi, X Xie, S Fratini, A Troisi The Journal of Physical Chemistry C 123 (12), 6989-6997, 2019 | 55 | 2019 |
| On the largest possible mobility of molecular semiconductors and how to achieve it T Nematiaram, D Padula, A Landi, A Troisi Advanced Functional Materials 30 (30), 2001906, 2020 | 52 | 2020 |
| Modeling charge transport in high-mobility molecular semiconductors: Balancing electronic structure and quantum dynamics methods with the help of experiments T Nematiaram, A Troisi The Journal of chemical physics 152 (19), 2020 | 47 | 2020 |
| Bright Frenkel excitons in molecular crystals: a survey T Nematiaram, D Padula, A Troisi Chemistry of Materials 33 (9), 3368-3378, 2021 | 31 | 2021 |
| Novel thermally activated delayed fluorescence materials by high-throughput virtual screening: going beyond donor–acceptor design K Zhao, ÖH Omar, T Nematiaram, D Padula, A Troisi Journal of Materials Chemistry C 9 (9), 3324-3333, 2021 | 29 | 2021 |
| High-throughput virtual screening for organic electronics: a comparative study of alternative strategies ÖH Omar, M Del Cueto, T Nematiaram, A Troisi Journal of Materials Chemistry C 9 (39), 13557-13583, 2021 | 25 | 2021 |
| Solar Panels and Photovoltaic Materials B Zaidi BoD–Books on Demand, 2018 | 25 | 2018 |
| Strategies to reduce the dynamic disorder in molecular semiconductors T Nematiaram, A Troisi Materials Horizons 7 (11), 2922-2928, 2020 | 21 | 2020 |
| Organic materials repurposing, a data set for theoretical predictions of new applications for existing compounds ÖH Omar, T Nematiaram, A Troisi, D Padula Scientific Data 9 (1), 54, 2022 | 20 | 2022 |
| Modeling of molecular photocells: Application to two-level photovoltaic system with electron-hole interaction T Nemati Aram, P Anghel-Vasilescu, A Asgari, M Ernzerhof, D Mayou The Journal of Chemical Physics 145 (12), 2016 | 16 | 2016 |
| Charge separation in organic solar cells: Effects of Coulomb interaction, recombination and hole propagation TN Aram, A Asgari, D Mayou Europhysics Letters 115 (1), 18003, 2016 | 15 | 2016 |
| Simple model of a coherent molecular photocell M Ernzerhof, MA Bélanger, D Mayou, T Nemati Aram The Journal of Chemical Physics 144 (13), 2016 | 15 | 2016 |
| The impact of long-range electron-hole interaction on the charge separation yield of molecular photocells T Nemati Aram, M Ernzerhof, A Asgari, D Mayou The Journal of Chemical Physics 146 (3), 2017 | 14 | 2017 |
| Predictive model of charge mobilities in organic semiconductor small molecules with force-matched potentials V Dantanarayana, T Nematiaram, D Vong, JE Anthony, A Troisi, ... Journal of chemical theory and computation 16 (6), 3494-3503, 2020 | 13 | 2020 |
| Quantum modeling of two-level photovoltaic systems TN Aram, A Asgari, M Ernzerhof, P Quémerais, D Mayou Epj photovoltaics 8, 85503, 2017 | 11 | 2017 |
| Quantitative hole mobility simulation and validation in substituted acenes D Vong, T Nematiaram, MA Dettmann, TL Murrey, LSR Cavalcante, ... The Journal of Physical Chemistry Letters 13 (24), 5530-5537, 2022 | 10 | 2022 |
| Impact of electron–phonon coupling on the quantum yield of photovoltaic devices T Nematiaram, A Asgari, D Mayou The Journal of Chemical Physics 152 (4), 2020 | 9 | 2020 |
| Impact of offset energies on the yield of interfacial charge separation in molecular photocells TN Aram, M Ernzerhof, A Asgari, D Mayou The Journal of Chemical Physics 149 (6), 2018 | 5 | 2018 |
| Influence of Fermi velocity engineering on electronic and optical properties of graphene superlattices TN Aram, A Asgari Physics Letters A 379 (12-13), 974-978, 2015 | 4 | 2015 |
Alessandro TroisiProfessor of Chemistry, University of Liverpool在 liverpool.ac.uk 的电子邮件经过验证
