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.
Publications
Buendía, J; Calbo, J; García, F; Aragó, J; Viruela, PM; Ortí, E; Sánchez, L
"
Helical supramolecular polymerization of C3-symmetric amides and retroamides: on the origin of cooperativity and handedness"
Chem. Commun. 52 2016
| 10.1039/c6cc02681h
Calbo, J; Viruela, R; Ortí, E; Aragó, J
"
Relationship between Electron Affinity and Half-Wave Reduction Potential: A Theoretical Study on Cyclic Electron-Acceptor Compounds"
ChemPhysChem 17 2016
| 10.1002/cphc.201600778
Moreira, L; Calbo, J; Aragó, J; Illescas, BM; Nierengarten, I; Delavaux-Nicot, B; Ortí, E; Martín, N; Nierengarten, JF
"
Conjugated Porphyrin Dimers: Cooperative Effects and Electronic Communication in Supramolecular Ensembles with C60"
J. Am. Chem. Soc. 138 2016
| 10.1021/jacs.6b07250
Ponce, J; Aragó, J; Vayá, I; Magenti, JG; Tatay, S; Ortí, E; Coronado, E
"
Photophysical Properties of Oligo(phenylene ethynylene) Iridium(III) Complexes Functionalized with Metal-Anchoring Groups"
Eur. J. Inorg. Chem. 2016
| 10.1002/ejic.201501409
Wielopolski, M; Marszalek, M; Brunetti, FG; Joly, D; Calbo, J; Aragó, J; Moser, JE; Humphry-Baker, R; Zakeeruddin, SM; Delgado, JL; Grätzel, M; Ortí, E; Martín, N
"
Synthesis and optoelectronic properties of chemically modified bi-fluorenylidenes"
J. Mater. Chem. C 4 2016
| 10.1039/c5tc03501e
Total: 5
