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
Blockmon, AL; Ullah, A; Hughey, KD; Duan, Y; O'Neal, KR; Ozerov, M; Baldoví, JJ; Aragó, J; Gaita-Ariño, A; Coronado, E; Musfeldt, JL
"
Spectroscopic Analysis of Vibronic Relaxation Pathways in Molecular Spin Qubit [Ho(W5O18)2]9-: Sparse Spectra Are Key"
Inorg. Chem. 60 2021
| 10.1021/acs.inorgchem.1c01474
Caballero, R; Barrejón, M; Cerdá, J; Aragó, J; Seetharaman, S; de la Cruz, P; Ortí, E; D'Souza, F; Langa, F
"
Self-Assembly-Directed Organization of a Fullerene-Bisporphyrin into Supramolecular Giant Donut Structures for Excited-State Charge Stabilization"
J. Am. Chem. Soc. 143 2021
| 10.1021/jacs.1c05133
Caballero, R; Calbo, J; Aragó, J; de la Cruz, P; Ortí, E; Tkachenko, NV; Langa, F
"
Enhanced electronic communication through a conjugated bridge in a porphyrin-fullerene donor-acceptor couple"
J. Mater. Chem. C 9 2021
| 10.1039/d1tc01160j
Cerdá, J; Calbo, J; Ortí, E; Aragó, J
"
Charge-Separation and Charge-Recombination Rate Constants in a Donor-Acceptor Buckybowl-Based Supramolecular Complex: Multistate and Solvent Effects"
J. Phys. Chem. A 125 2021
| 10.1021/acs.jpca.1c05740
Garrido, M; Martínez-Periñan, E; Calbo, J; Rodríguez-Pérez, L; Aragó, J; Lorenzo, E; Ortí, E; Martín, N; Herranz, MA
"
Supramolecular assembly of pyrene-tetrathiafulvalene hybrids on graphene: structure-property relationships and biosensing activity"
J. Mater. Chem. C 9 2021
| 10.1039/d1tc01442k
Gómez, P; Cerdá, J; Más-Montoya, M; Georgakopoulos, S; da Silva, I; García, A; Ortí, E; Aragó, J; Curiel, D
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Effect of molecular geometry and extended conjugation on the performance of hydrogen-bonded semiconductors in organic thin-film field-effect transistors"
J. Mater. Chem. C 9 2021
| 10.1039/d1tc01328a
Gómez, P; Georgakopoulos, S; Más-Montoya, M; Cerdá, J; Pérez, J; Ortí, E; Aragó, J; Curiel, D
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Improving the Robustness of Organic Semiconductors through Hydrogen Bonding"
ACS Appl. Mater. Interfaces 13 2021
| 10.1021/acsami.0c18928
Hu, ZQ; Ullah, A; Prima-Garcia, H; Chin, SH; Wang, YY; Aragó, J; Shi, ZJ; Gaita-Ariño, A; Coronado, E
"
Binding Sites, Vibrations and Spin-Lattice Relaxation Times in Europium(II)-Based Metallofullerene Spin Qubits"
Chem.-Eur. J. 27 2021
| 10.1002/chem.202101922
Illicachi, LA; Urieta-Mora, J; Momblona, C; Molina-Ontoria, A; Calbo, J; Aragó, J; Insuasty, B; Ortiz, A; Ortí, E; Martín, N; Nazeeruddin, MK
"
Selenophene-Based Hole-Transporting Materials for Perovskite Solar Cells"
ChemPlusChem 86 2021
| 10.1002/cplu.202100208
Martínez, MA; Doncel-Giménez, A; Cerdá, J; Calbo, J; Rodríguez, R; Aragó, J; Crassous, J; Ortí, E; Sánchez, L
"
Distance Matters: Biasing Mechanism, Transfer of Asymmetry, and Stereomutation in N-Annulated Perylene Bisimide Supramolecular Polymers"
J. Am. Chem. Soc. 143 2021
| 10.1021/jacs.1c06125
Muñoz-Mármol, R; Boj, PG; Villalvilla, JM; Quintana, JA; Zink-Lorre, N; Sastre-Santos, A; Aragó, J; Ortí, E; Baronas, P; Litvinas, D; Jursenas, S; Fenández-Lázaro, F; Díaz-García, MA
"
Effect of Substituents at Imide Positions on the Laser Performance of 1,7-Bay-Substituted Perylenediimide Dyes"
J. Phys. Chem. C 125 2021
| 10.1021/acs.jpcc.1c00833
Orvay, F; Cerdá, J; Rotger, C; Ortí, E; Aragó, J; Costa, A; Soberats, B
"
Influence of the Z/E Isomerism on the Pathway Complexity of a Squaramide-Based Macrocycle"
Small 17 2006133 2021
| 10.1002/smll.202006133
Santos, J; Calbo, J; Sandoval-Torrientes, R; García-Benito, I; Kanda, H; Zimmermann, I; Aragó, J; Nazeeruddin, MK; Ortí, E; Martín, N
"
Hole-Transporting Materials for Perovskite Solar Cells Employing an Anthradithiophene Core"
ACS Appl. Mater. Interfaces 13 2021
| 10.1021/acsami.1c05890
Urieta-Mora, J; García-Benito, I; Illicachi, LA; Calbo, J; Aragó, J; Molina-Ontoria, A; Ortí, E; Martín, N; Nazeeruddin, MK
"
Improving the Long-Term Stability of Doped Spiro-Type Hole-Transporting Materials in Planar Perovskite Solar Cells"
Sol. RRL 5 2100650 2021
| 10.1002/solr.202100650
Total: 14
