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
Calbo, J; Aragó, J; Boto, RA; Sánchez-Marín, J; Ortí, E; Contreras-García, J
"
Bending Carbon Nanoforms for Supramolecular Recognition: A Topological Study on Hemifullerene-Based Aggregates"
J. Phys. Chem. A 122 2018
| 10.1021/acs.jpca.7b11746
Calbo, J; Doncel-Giménez, A; Aragó, J; Ortí, E
"
Tuning the optical and electronic properties of perylene diimides through transversal core extension"
Theor. Chem. Acc. 137 27 2018
| 10.1007/s00214-018-2205-4
Calbo, J; Sancho-García, JC; Ortí, E; Aragó, J
"
Quantum-Chemical Insights into the Self-Assembly of Carbon-Based Supramolecular Complexes"
Molecules 23 118 2018
| 10.3390/molecules23010118
Díaz-Cabrera, S; Dorca, Y; Calbo, J; Aragó, J; Gómez, R; Ortí, E; Sánchez, L
"
Hierarchy of Asymmetry at Work: Chain-Dependent Helix-to-Helix Interactions in Supramolecular Polymers"
Chem.-Eur. J. 24 2018
| 10.1002/chem.201706070
Dorca, Y; Valera, JS; Cerdá, J; Aragó, J; Gómez, R; Ortí, E; Sánchez, L
"
Synergy of Axial and Point Chirality to Construct Helical N-Heterotriangulene-Based Supramolecular Polymers"
ChemNanoMat 4 2018
| 10.1002/cnma.201800186
García-Benito, I; Zimmermann, I; Urieta-Mora, J; Aragó, J; Calbo, J; Perles, J; Serrano, A; Molina-Ontoria, A; Ortí, E; Martín, N; Nazeeruddin, MK
"
Heteroatom Effect on Star-Shaped Hole-Transporting Materials for Perovskite Solar Cells"
Adv. Funct. Mater. 28 1801734 2018
| 10.1002/adfm.201801734
Krykun, S; Croué, V; Allain, M; Voitenko, Z; Aragó, J; Ortí, E; Goeb, S; Sallé, M
"
Tuning the electronic properties and the planarity degree in the p- extended TTF series: the prominent role of heteroatoms"
J. Mater. Chem. C 6 2018
| 10.1039/c8tc04730h
Sandoval-Torrientes, R; Zimmermann, I; Calbo, J; Aragó, J; Santos, J; Ortí, E; Martín, N; Nazeeruddin, MK
"
Hole transporting materials based on benzodithiophene and dithienopyrrole cores for efficient perovskite solar cells"
J. Mater. Chem. A 6 2018
| 10.1039/c7ta11314e
Total: 8
