Influence of alkyl chain length on the photovoltaic properties of dithienopyran-based hole-transporting materials for perovskite solar cells.
M. Caicedo-Reina, M. Pérez-Escribano, J. Urieta-Mora, I. García- Benito, J. Calbo, A. Ortiz, B. Insuasty, A. Molina-Ontoria, E. Ortí, N. Martín.
J. Mater. Chem. C 2023, 11, 8223–8230. DOI: http://dx.doi.org/10.1039/d2tc05468j

Thermodynamics of the self-assembly of N-annulated perylene bisimides in water. Disentangling the enthalpic and entropic contributions.
M. A. Martínez, D. Aranda, E. Ortí, J. Aragó, L. Sánchez.
Org. Chem. Front. 2023, 10, 1959–1967. DOI: http://dx.doi.org/10.1039/d3qo00111c

On the importance of equatorial metal-centered excited states in the pho- tophysics of cyclometallated Ir(III) complexes.
I. Soriano-Díaz, E. Ortí, A. Giussani.
Dalton Trans. 2023, 52, 10437–10447. DOI:  http://dx.doi.org/10.1039/d3dt01404e

Morphology, dynamic disorder, and charge transport in an indoloindole- based hole-transporting material from a multi-level theoretical approach.
M. Pérez-Escribano, A. Fernández-Alarcón, E. Ortí, J. Aragó, J. Cerdá, J. Calbo, Faraday Discuss. 2023. DOI: http://dx.doi.org/10.1039/d3fd00144j

Dimeric tetrabromo-p-quinodimethanes: synthesis and structural/electronic properties.
D. J. Vicent, M. Pérez-Escribano, A. Cárdenas-Valdivia, A. Barragán, J. Calbo, J. I. Urgel, D. Écija, J. Santos, J. Casado, E. Ortí, N. Martín.
Chem. Sci. 2023, 14, 10112–10120. DOI: http://dx.doi.org/10.1039/d3sc01615c

Solvent-dependent self-assembly of N-annulated perylene diimides. From dimers to supramolecular polymers.
C. Naranjo, A. Doncel-Giménez, R. Gómez, J. Aragó, E. Ortí, L. Sánchez.
Chem. Sci. 2023, 14, 9900– 9909. DOI: http://dx.doi.org/10.1039/d3sc03372d

Perylene-Based Coordination Polymers: Synthesis, Fluorescent J- Aggregates, and Electrochemical Properties.
G. Valente, M. Esteve-Rochina, S. P. C. Alves, J. M. G. Martinho, E. Ortí, J. Calbo, F. A. A. Paz, J. Rocha, M. Souto.
Inorg. Chem. 2023, 62, 7834–7842. DOI: http://dx.doi.org/10.1021/acs.inorgchem.3c00540

Spin-Crossover Grafted Monolayer of a Co(II) Terpyridine Derivative Functionalized with Carboxylic Acid Groups.
V. García-López, N. Giaconi, L. Poggini, J. Calbo, A. Juhin, B. Cortigiani, J. Herrero-Martín, E. Ortí, M. Mannini, M. Clemente-León, E. Coronado.
Adv. Funct. Mater. 2023. DOI: http://dx.doi.org/10.1002/adfm.202300351

Chalcohalide Antiperovskite Thin Films with Visible Light Absorption and High Charge-Carrier Mobility Processed by Solvent-Free and Low- Temperature Methods.
P. Sebastiá-Luna, N. Rodkey, A. S. Mirza, S. Mertens, S. Lal, A. M. G. Carranza, J. Calbo, M. Righetto, M. Sessolo, L. M. Herz, K. Vandewal, E. Ortí, M. Morales-Masis, H. J. Bolink, F. Palazon.
Chemistry of Materials 2023, 35, 6482–6490. DOI: http://dx.doi.org/10.1021/acs.chemmater.3c01349

Insights into the Enhancement of the Poly(ethylene terephthalate) Degradation by FAST-PETase from Computational Modeling.
R. García-Meseguer, E. Ortí,I. Tuñón, J. J. Ruiz-Pernía, J. Aragó.
J. Am. Chem. Soc. 2023, 145, 19243–19255. DOI: http://dx.doi.org/10.1021/jacs.3c04427

Self-Assembly of Cone-Shaped Subphthalocyanines: A Theoretical Insight.
E. Ortí, J. Calbo, J. Aragó, D. G. Rodriguez, T. Torres, ECS Meeting Abstracts 2023, MA2023-01, 1419–1419. DOI: http://dx.doi.org/10.1149/ma2023-01151419mtgabs

Role of Counterions in the Structural Stabilisation of Redox-Active Metal-Organic Frameworks.
M. J. Golomb, K. Tolborg, J. Calbo, A. Walsh.
Chem. Eur. J. 2023, 29. DOI: http://dx.doi.org/10.1002/chem.202203843

Through-space hopping transport in an iodine-doped perylene-based metal-organic framework.
G. Valente, M. Esteve-Rochina, A. Paracana, A. Rodríguez-Diéguez, D. Choquesillo-Lazarte, E. Ortí, J. Calbo, M. Ilkaeva, L. Mafra,  M. A. Hernández-Rodríguez,  J. Rocha,  H. Alves, M. Souto.
Mol. Syst. Des. Eng. 2022, 7, 1065–1072. DOI: http://dx.doi.org/10.1039/d2me00108j

Supramolecular polymerization of electronically complementary linear motifs: anti-cooperativity by attenuated growth.
Y. Dorca, C. Naranjo, G.  Ghosh, B. Soberats, J. Calbo, E. Ortí, G. Fernández, L. Sánchez.
Chem. Sci. 2022, 13, 81–89. DOI: http://dx.doi.org/10.1039/d1sc04883j

Semiconductor Porous Hydrogen-Bonded Organic Frameworks Based on Tetrathiafulvalene Derivatives.
M. Vicent-Morales, M. Esteve-Rochina, J. Calbo, E. Ortí, I. J. Vitórica-Yrezábal, G. M. Espallargas.
J. Am. Chem. Soc. 2022, 144, 9074–9082. DOI: http://dx.doi.org/10.1021/jacs.2c01957

Data-Driven Analysis of Hole-Transporting Materials for Perovskite Solar Cells Performance.
M. del Cueto, C. Rawski-Furman, J. Aragó, E. Ortí, A. Troisi.
J. Phys. Chem. C 2022, 126, 13053–13061. DOI: http://dx.doi.org/10.1021/acs.jpcc.2c04725

Thermoreversible Polymorph Transitions in Supramolecular Polymers of Hydrogen-Bonded Squaramides.
S. Bujosa, A. Doncel-Giménez, N. B¨aumer, G. Fernández, E. Ortí, A. Costa, C. Rotger, J. Aragó, B. Soberats.
Angew. Chem. Int. Ed. 2022, 134. DOI: http://dx.doi.org/10.1002/ange.202213345

Multivariate sodalite zeolitic imidazolate frameworks: a direct solvent- free synthesis.
J. López-Cabrelles, E. Miguel-Casañ, M. Esteve-Rochina, E. Andres-Garcia, I. J. Vitórica-Yrezábal, J. Calbo, G. M. Espallargas.
Chem. Sci. 2022, 13, 842–847. DOI: http://dx.doi.org/10.1039/d1sc04779e

Exploiting the Redox Activity of MIL-100(Fe) Carrier Enables Pro-longed Carvacrol Antimicrobial Activity.
K. Caamaño, R. Heras-Mozos, J. Calbo, J. C. Díaz, J. C. Waerenborgh, B. J. C. Vieira, P. Hernández- Muñoz, R. Gavara, M. Giménez-Marqués,
ACS Appl. Mater. interfaces 2022, 14, 10758–10768. DOI:  http://dx.doi.org/10.1021/acsami.1c21555

High Power Irradiance Dependence of Charge Species Dynamics in Hybrid Perovskites and Kinetic Evidence for Transient Vibrational Stark Effect in Formamidinium.
R. Rakowski, W. Fisher, J. Calbo, M. Z. Mokhtar, X. Liang, D. Ding, J. M. Frost, S. A. Haque, A. Walsh, P. R. F. Barnes, J. Nelson, J. J. van Thor.
Nanomater. 2022, 12, 1616. DOI: http://dx.doi.org/10.3390/nano12101616

Structural Dynamics and Tunability for Colloidal Tin Halide Perovskite Nanostructures.
K. Gahlot, S. de Graaf, H. Duim, G. Nedelcu, R. M. Koushki, M. Ahmadi, D. Gavhane, A. Lasorsa, O. D. Luca, P. Rudolf, P. C. A. van der Wel, M. A. Loi, B. J. Kooi, G. Portale, J. Calbo, L. Protesescu.
Adv. Mat. 2022, 34. DOI: http://dx.doi.org/10.1002/adma.202201353

Electrical two-qubit gates within a pair of clock-qubit magnetic molecules.
A. Ullah, Z. Hu, J. Cerdá, J. Aragó, A. Gaita-Ariño,
npj Quantum Information 2022, 8. DOI: http://dx.doi.org/10.1038/s41534-022-00647-8