The project led to 16 papers published in high-impact international journals:
(1) Landi, A.; Padula, D.; Peluso, A. Fast Nonradiative Decay Paths in Organic Solar Cells: Implications for Designing More Efficient Photovoltaic Systems. ACS Applied Energy Materials, 2024, 7, 707–714. https://doi.org/10.1021/acsaem.3c02790.
(2) Giannini, S.; Martinez, P. M.; Semmeq, A.; Galvez, J. P.; Piras, A.; Landi, A.; Padula, D.; Vilhena, J. G.; Cerezo, J.; Prampolini, G. JOYCE3.0: A General Protocol for the Specific Parametrization of Accurate Intramolecular Quantum Mechanically Derived Force Fields. J. Chem. Theory Comput. 2025, 21 (6), 3156–3175. https://doi.org/10.1021/acs.jctc.5c00010.
(3) Landi, A.; Ambrosio, F.; Leo, A.; Padula, D.; Prampolini, G.; Peluso, A. Effect of Thermal Disorder on the Electronic Structure and the Charge Mobility of Acenes. J. Mater. Chem. C 2025, 13 (48), 23855–23869. https://doi.org/10.1039/D5TC03115J.
(4) Ambrosio, F.; Landi, A.; Loriso, M.; Leo, A.; Peluso, A. External Reorganization Energy upon Charge Transfer Reactions in Mildly Polar Media: The Case of Naphthalene in Tetrahydrofuran. J. Phys. Chem. Lett. 2025, 16 (26), 6734–6744. https://doi.org/10.1021/acs.jpclett.5c01328.
(5) Burke, C.; Landi, A.; Troisi, A. The Dynamic Nature of Electrostatic Disorder in Organic Mixed Ionic and Electronic Conductors. Mater. Horiz. 2024. https://doi.org/10.1039/d4mh00706a.
(6) Loriso, M.; Azmat, S.; Listorti, A.; Landi, A.; Wiktor, J.; De Angelis, F.; Peluso, A.; Colella, S.; Ambrosio, F. Electron Localization and Mobility in Layered Cs3 Bi2 Br9 Perovskite: Consequences on Photocatalytic Processes. J. Phys. Energy 2026, 8 (1), 015009. https://doi.org/10.1088/2515-7655/ae2159.
(7) Capobianco, A.; Wiktor, J.; Landi, A.; Ambrosio, F.; Peluso, A. Electron Localization and Mobility in Monolayer Fullerene Networks. Nano Letters, 2024, 24, 8335–8342. https://doi.org/10.1021/acs.nanolett.4c01695.
(8) Ricci, G.; Landi, A.; Sancho‐García, J. C.; Olivier, Y. Enhancing Reverse Intersystem Crossing with Extended Inverted Singlet–Triplet (X−INVEST) Systems. Adv. Opt. Mater. 2025, 13 (23), 2402765. https://doi.org/10.1002/adom.202402765.
(9) Landi, A.; Ricci, G.; Olivier, Y.; Capobianco, A.; Peluso, A. Toward Efficient Modeling of Nonradiative Decay in Extended INVEST: Overcoming Computational Challenges in Quantum Dynamics Simulations. J. Phys. Chem. Lett. 2024, 15 (44), 11042–11050. https://doi.org/10.1021/acs.jpclett.4c02713.
(10) Landi, A.; Landi, A.; Leo, A.; Peluso, A. The Rates of Non-Adiabatic Processes in Large Molecular Systems: Toward an Effective Full-Dimensional Quantum Mechanical Approach. Journal of Chemical Physics, 2024, 160. https://doi.org/10.1063/5.0200345.
(11) Padula, D.; Barneschi, L.; Landi, A. Multiscale Modeling of Charge Transport in Organic Semiconductors: Assessing the Validity of the Harmonic Approximation for Low-Frequency Vibrations. J. Phys. Chem. C 2025, 129 (1), 784–792. https://doi.org/10.1021/acs.jpcc.4c06790.
(12) Pizza, T.; Landi, A.; Ambrosio, F.; Capobianco, A.; Peluso, A. Elementary Processes in Ternary Solar Cells. Mater. Chem. Front. 2024, 8 (24), 4069–4076. https://doi.org/10.1039/D4QM00714J.
(13) Mocerino, F.; Barra, M.; Borbone, F.; Carella, A.; Centore, R.; Chiarella, F.; Landi, A.; Peluso, A. Novel Isoindigo-Based Organic Semiconductors End Capped with 1,1-Dicyanomethylene-3-Indanone: Effect of the Bromination and Position of Bromine Substituents on the Chemical–Physical and Electrical Properties. Molecules 2025, 30 (18), 3672. https://doi.org/10.3390/molecules30183672.
(14) Parisi, E.; Santagata, E.; Landi, A.; Centore, R.; Chino, M.; Carella, A. Strong and pH Dependent Fluorescence in Unprecedented Anthra[2,3-d]Imidazole Derivatives. Dyes Pigments 2025, 232, 112440. https://doi.org/10.1016/j.dyepig.2024.112440.
(15) Carella, A.; Landi, A.; Bonomo, M.; Chiarella, F.; Centore, R.; Peluso, A.; Nejrotti, S.; Barra, M. Asymmetrical Diketopyrrolopyrrole Derivatives with Improved Solubility and Balanced Charge Transport Properties. Molecules, 2024, 29. https://doi.org/10.3390/molecules29122805.
(16) Landi, A.; Monaco, G. IPLOT‐VKA: An Integral‐Method Powell‐pLOT‐Enhanced Visual Kinetic Analysis for the Determination of Orders of Reaction. Chem. – Eur. J. 2025, 31 (1), e202401914. https://doi.org/10.1002/chem.202401914.