Background
Dr. J. Aragó (b. 1983, Valencia) is currently a Ramon-y-Cajal Research Fellow at the Institute for Molecular Science (ICMol) of the University of Valencia (Spain). Dr. J. Aragó obtained his PhD with academic honours in 2012 at the ICMol under the supervision of Profs. Enrique Ortí and Pedro M. Viruela. Upon graduation, he continued working for one year in his PhD group as a post-doctoral researcher and, then, moved in September 2013 to the University of Warwick (United Kingdom) for a post-doctoral stay at the group of Prof. A. Troisi after being awarded the prestigious Marie Curie Intra-European Fellowship (IEF). Once back to the ICMol in 2016, he was awarded the JdC-Incorporación Fellowship and, in 2018, the highly competitive Ramon-y-Cajal Fellowship.
Research interests
Dr. J. Aragó is interested in the theoretical characterization of the structural, electronic, self-assembly and energy/charge transport properties of electroactive/photoactive molecular systems with special relevance in the field of organic electronics. In particular, he is mainly focused on the intimate relationship between molecular organization and functionality (e.g., exciton transport) which is of utter importance for the design and development of enhanced (supra)molecular materials for the next generation of optoelectronic devices. His three main research lines are: 1) Modelling of weakly-bonded supramolecular systems, 2) Exciton/charge transport in (supra)molecular materials and 3) Computational modelling of plastic-degrading enzymes. The development of these research lines has allowed Dr. J. Aragó to acquire a considerable expertise in the application of classical and quantum computational techniques for the accurate description of electroactive (supra)molecular materials and biological systems.
Cerdá, J; OrtÃ, E; Beljonne, D; Aragó, J
"
Optical Properties of H-Bonded Heterotriangulene Supramolecular Polymers: Charge-Transfer Excitations Matter"
J. Phys. Chem. Lett. 15 2024
| 10.1021/acs.jpclett.4c01520
Gia, A; de Juan, A; Aranda, D; Guijarro, FG; Aragó, J; Ortí, E; García-Iglesias, M; González-Rodríguez, D
"
Highly Rigid, Yet Conformationally Adaptable, Bisporphyrin sp 2-Cage Receptors Afford Outstanding Binding Affinities, Chelate Cooperativities, and Substrate Selectivities"
J. Am. Chem. Soc. 147 2024
| 10.1021/jacs.4c13756
Gonzalez-Pato, N; Blasi, D; Nikolaidou, DM; Bertocchi, F; Cerdá, J; Terenziani, F; Ventosa, N; Aragó, J; Lapini, A; Veciana, J; Ratera, I
"
Nanothermometer Based on Polychlorinated Trityl Radicals Showing Two-Photon Excitation and Emission in the Biological Transparency Window: Temperature Monitoring of Biological Tissues"
Small Methods 2024
| 10.1002/smtd.202301060
Gordillo-Gámez, F; Gao, YZ; Aragó, J; OrtÃ, E; Aranda, D; Kertesz, M; Tykwinski, RR; Casado, J
"
Aggregation of One-Dimensional Wires: The Case of Long Oligoynes"
Angew. Chem.-Int. Edit. 63 2024
| 10.1002/anie.202404014
Pérez-Escribano, M; Fernández-Alarcón, A; Ortí, E; Aragó, J; Cerdá, J; Calbo, J
"
Morphology, dynamic disorder, and charge transport in an indoloindole-based hole-transporting material from a multi-level theoretical approach"
Faraday Discuss. 2024
| 10.1039/d3fd00144j
Rubert-Albiol, R; Cerdá, J; Calbo, J; Cupellini, L; Orti, E; Aragó, J
"
Theoretical description of photoinduced electron transfer in donor-acceptor supramolecular complexes based on carbon buckybowls"
J. Chem. Phys. 161 14304 2024
| 10.1063/5.0215339
Total: 6
