Phosphane Tuning in Heteroleptic [Cu(N^N)(P^P)]⁺ Complexes for Light-Emitting Electrochemical Cells.
F. Brunner, A. Babaei, A. Pertegás, J.M. Junquera-Hernández, A. Prescimone, E.C. Constable, H.J. Bolink, M. Sessolo, E. Ortí, C.E. Housecroft.
Dalton Trans. 2019, 48, 446–460. DOI: https://doi.org/10.1039/C8DT03827A

Self-assembly of Clicked Star-Shaped Triazines into Functional Nanostructures.
M. Castillo-Vallés, E. Beltrán, J. Cerdá, J. Aragó, P. Romero, J.L. Serrano, E. Ortí, R. Giménez, T. Sierra.
ChemNanoMat 2019, 5, 130–137. DOI: https://doi.org/10.1002/cnma.201800484

Non-Planar and Flexible Hole-Transporting Materials from Bis-Xanthene and Bis-Thioxanthene Units for Perovskite Solar Cells.
J. Urieta-Mora, I. García-Benito, I. Zimmermann, J. Aragó, P.D. García-Fernández, G. Grancini, A. Molina-Ontoria, E. Ortí, N. Martín, M.K. Nazeeruddin.
Helv. Chim. Acta 2019, 102, e1900056. DOI: https://doi.org/10.1002/hlca.201900056

Minimizing Geminate Recombination Losses in Small-Molecule-Based Organic Solar Cells.
R. Sandoval-Torrientes, A. Gavrik, A. Isakova, A. Abudulimu, J. Calbo, J. Aragó, J. Santos, E. Ortí, N. Martín, V. Dyakonov, L. Lüer.
J. Mater. Chem. C 2019, 7, 6641–6648. DOI: https://doi.org/10.1039/C9TC00862D

Carbon Nanotubes Conjugated with Triazole-Based Tetrathiafulvalene-Type Receptors for C₆₀ Recognition.
J. Mateos-Gil, J. Calbo, L. Rodríguez-Pérez, M.A. Herranz, E. Ortí, N. Martín.
ChemPlusChem 2019, 84, 730−739. DOI: https://doi.org/10.1002/cplu.201900078

Decoding the Consequences of Increasing the Size of Selff-Assembling Tricarboxamides on Chiral Amplification.
E.E. Greciano, J. Calbo, J. Buendía, J. Cerdá, J. Aragó, E. Ortí, L. Sánchez.
J. Am. Chem. Soc. 2019, 141, 7463−7472. DOI: https://doi.org/10.1021/jacs.9b02045

Azole-Containing Cationic Bis-Cyclometallated Iridium(III) Isocyanide Complexes: A Theoretical Insight on the Emission Energy and Emission Efficiency.
A. Giussani, P. Pla, J.M. Junquera-Hernández, E. Ortí.
Dalton Trans. 2019, 48, 9725−9733. DOI: https://doi.org/https://doi.org/10.1039/C9DT00412B

Saddle-Like, π-Conjugated, Cyclooctatetrathiophene-Based, Hole-Transporting Material for Perovskite Solar Cells.
J. Urieta-Mora, I. García-Benito, I. Zimmermann, J. Aragó, J. Calbo, G. Grancini, A. Molina-Ontoria, E. Ortí, N. Martín, M. K. Nazeeruddin
J. Mater. Chem. C 2019, 7, 6656. DOI: https://doi.org/10.1039/C9TC00437H

Understanding the Affinity of Bis-exTTF Macrocyclic Receptors towards Fullerene Recognition.
J. Calbo, A. de Juan, J. Aragó, J. Villalva, N. Martín, E.M. Pérez, E. Ortí.
Phys. Chem. Chem. Phys. 2019, 21, 11670−11675. DOI: https://doi.org/10.1039/C9CP01735F

Diels–Alder Reaction on Perylenediimides: Synthesis and Theoretical Study of Core-Expanded Diimides.
N. Zink-Lorre, A. Doncel-Giménez, E. Font-Sanchis, J. Calbo, A. Sastre-Santos, E. Ortí, F. Fernández-Lázaro.
Org. Chem. Front. 2019, 6, 2860−2871. DOI: https://doi.org/10.1039/C9QO00682F

Dibenzoquinquethiophene- and Dibenzosexithiophene-Based Hole-Transporting Materials for Perovskite Solar Cells.
J. Urieta-Mora, I. Zimmermann, J. Aragó, A. Molina-Ontoria, E. Ortí, N. Martín, M. K. Nazeeruddin.
Chem. Mater. 2019, 31, 6435−6442. DOI: https://doi.org/10.1021/acs.chemmater.8b04003

Flipping Motion To Bias the Organized Supramolecular Polymerization of N‑Heterotriangulenes.
Y. Dorca, J. Cerdá, J. Aragó, E. Ortí, L. Sánchez.
Chem. Mater. 2019, 31, 7024-7032. DOI: https://doi.org/10.1021/acs.chemmater.9b01653

Luminescence of Polybromide Defects in Cs₄PbBr₆.
Y.-K. Jung, J. Calbo, J.-S. Park, S. Kim, L. Whalley, A. Walsh,
ChemRxiv. 2019. DOI: http://dx.doi.org/10.26434/chemrxiv.7629467.v2

In Silico Molecular Engineering of Dysprosocenium-Based Complexes to Decouple Spin Energy Levels from Molecular Vibrations.
A. Ullah, J. Cerdá, J. J. Baldoví, S. A. Varganov, J. Aragó, A. Gaita-Ariño.
Phys. Chem. Lett. 2019, 10, 7678–7683. DOI: http://dx.doi.org/10.1021/acs.jpclett.9b02982

Tetrasubstituted Thieno[3,2-b]thiophenes as Hole-Transporting Materials for Perovskite Solar Cells.
J. Urieta-Mora, I. García-Benito, I. Zimmermann, J. Aragó, A. Molina-Ontoria, E. Ortí, N. Martín, M. K. Nazeeruddin.
J. Org. Chem. 2019, 85, 224–233. DOI: http://dx.doi.org/10.1021/acs.joc.9b02769

Mono- and Tripodal Porphyrins: Investigation on the Influence of the Number of Pyrene Anchors in Carbon Nanotube and Graphene Hybrids.
M. Garrido, M. K. Volland, P. W. Münich, L. Rodríguez-Pérez, J. Calbo, E. Ortí, M. Á. Herranz, N. Martín, D. M. Guldi.
J. Am. Chem. Soc. 2019, 142, 1895–1903. DOI: http://dx.doi.org/10.1021/jacs.9b10772

Redox-active metal-organic frameworks for energy conversion and storage.
J. Calbo, M. J. Golomb, A. Walsh.
J. Mater. Chem. A 2019, 7, 16571–16597. DOI: http://dx.doi.org/10.1002/chem.202203843

Intrinsic doping limit and defect-assisted luminescence in Cs₄PbBr_6.
Y.-K. Jung, J. Calbo, J.-S.Park, L. D.  Whalley, S. Kim, A. Walsh.
J. Mater. Chem. A 2019, 7, 20254–20261. DOI: http://dx.doi.org/10.1039/c9ta06874k

Accumulation of Deep Traps at Grain Boundaries in Halide Perovskites.
J.-S. Park, J. Calbo, Y.-K. Jung, L. D. Whalley, A. Walsh.
ACS Energy Lett. 2019, 4, 1321–1327. DOI: http://dx.doi.org/10.1021/acsenergylett.9b00840

Chemical ZE Isomer Switching of Arylazopyrazoles Using Acid.
R. S. L. Gibson, J. Calbo, M. J. Fuchter.
ChemPhotoChem 2019, 3, 372–377. DOI: http://dx.doi.org/10.1002/cptc.201900065

Investigation of Charge-Transfer Interactions Induced by Encapsulating Fullerene in a Mesoporous Tetrathiafulvalene-Based Metal-Organic Framework.
M. Souto, J. Calbo, S. Mañas-Valero, A. Walsh, G. M. Espallargas,
ChemRxiv, 2019. DOI: http://dx.doi.org/10.26434/chemrxiv.8427047.v1

Charge-transfer interactions between fullerenes and a mesoporous tetrathiafulvalene-based metal-organic framework.
M. Souto, J. Calbo, S. Mañas-Valero, A. Walsh, G. M. Espallargas, Beilstein
J. Nanotechnol. 2019, 10, 1883–1893. http://dx.doi.org/10.3762/bjnano.10.183

A combinatorial approach to improving the performance of azoarene photoswitches.
J. Calbo, A. R. Thawani, R. S. L. Gibson, A. J. P. White, M. J. Fuchter, Beilstein
J. Org. Chem. 2019, 15, 2753–2764. http://dx.doi.org/10.3762/bjoc.15.266

Tuning the Electronic Properties and the Planarity Degree in the π-Extended TTF Series: The Prominent Role of Heteroatoms.
S. Krykun, V. Croué, M. Allain, Z. Voitenko, J. Aragó, E. Ortí, S. Goeb, M. Sallé.
J. Mater. Chem. C 2018, 6, 13190–13196. DOI: https://doi.org/10.1039/C8TC04730H

Strong Influence of the Ancillary Ligand over the Photodynamic Anticancer Properties of Neutral Biscyclometalated Ir^III Complexes Bearing 2-Benzoazole-Phenolates.
M. Martínez-Alonso, N. Busto, L.D. Aguirre, L. Berlanga, M.C. Carrión, J.V. Cuevas, A.M. Rodríguez, A. Carbayo, B.R. Manzano, E. Ortí, F.A. Jalón, B. García, G. Espino
Chem. Eur. J. 2018, 24, 17523–17537. DOI: https://doi.org/10.1002/chem.201803784

Exploring the Effect of the Cyclometallating Ligand in 2-(Pyridine-2-yl)benzo[d]thiazole-Containing Iridium(III) Complexes for Stable Light-Emitting Electrochemical Cells.
C. Momblona, C.D. Ertl, A. Pertegás, J.M. Junquera-Hernández, H. J. Bolink, E.C. Constable, M. Sessolo, E. Ortí, C.E. Housecroft.
J. Mater. Chem. C 2018, 6, 12679–12688. DOI: https://doi.org/10.1039/C8TC04727H

Luminescent Copper(I) Complexes with Bisphosphane and Halogen-Substituted 2,2’-Bipyridine Ligands
S. Keller, A. Prescimone, H. Bolink, M. Sessolo, G. Longo, L. Martínez-Sarti, J.M. Junquera-Hernández, E.C. Constable, E. Ortí, C.E. Housecroft.
Dalton Trans. 2018, 47, 14263–14276. DOI: https://doi.org/10.1039/C8DT01338A

Breathing-Dependent Redox Activity in a Tetrathiafulvalene-Based Metal−Organic Framework
M. Souto, J. Romero, J. Calbo, I.J. Vitórica-Yrezábal, J.L. Zafra, J. Casado, E. Ortí, A. Walsh, G. Mínguez-Espallargas.
J. Am. Chem. Soc. 2018, 140, 10562−10569. DOI: https://doi.org/10.1021/jacs.8b05890

[Cu(P^P)(N^N)][PF₆] Compounds with Bis(phosphane) and 6-Alkoxy, 6-Alkylthio, 6-Phenyloxy and 6-Phenylthio-Substituted 2,2’-Bipyridine Ligands for Light-Emitting Electrochemical Cells.
M. Alkan-Zambada, S. Keller, L. Martínez-Sarti, A. Prescimone, J.M. Junquera-Hernández, E.C. Constable, H.J. Bolink, M. Sessolo, E. Ortí, C.E. Housecroft.
J. Mater. Chem. C 2018, 6, 8460−8471. DOI: https://doi.org/10.1039/C8TC02882F

Synergy of Axial and Point Chirality to Construct Helical N-Heterotriangulene-Based Supramolecular Polymers.
Y. Dorca, J.S. Valera, J. Cerdá, J. Aragó, R. Gómez, E. Ortí, L. Sánchez.
ChemNanoMat 2018, 4, 781−784. DOI: https://doi.org/10.1002/cnma.201800186

Heteroatom Effect on Star-Shaped Hole-Transporting Materials for Perovskite Solar Cells.
I. García-Benito, I. Zimmermann, J. Urieta-Mora, J. Aragó, J. Calbo, J. Perles, A. Serrano, A. Molina-Ontoria, E. Ortí, N. Martín, M.K. Nazeeruddin.
Adv. Funct. Mater. 2018, 28, 1801734. DOI: https://doi.org/10.1002/adfm.201801734

Tuning the Optical and Electronic Properties of Perylene Diimides through Transversal Core Extension.
J. Calbo, A. Doncel-Giménez, J. Aragó, E. Ortí.  
Theor. Chem. Acc. 2018, 137(27), 1 - 11. DOI: https://doi.org/10.1007/s00214-018-2205-4

The Role of Planarity versus Nonplanarity in the Electronic Communication of TCAQ-Based Push–Pull Chromophores.
R. García, J. Calbo, R. Viruela, M.A. Herranz, E. Ortí, N. Martín.
ChemPlusChem. 2018, 83. DOI: https://doi.org/10.1002/cplu.201700553

Quantum-Chemical Insights into the Self-Assembly of Carbon-Based Supramolecular Complexes.
J. Calbo, J.C. Sancho-García, E. Ortí, J. Aragó.
Molecules. 2018, 23(118), 1 - 38. 2018. DOI: https://doi.org/10.3390/molecules23010118

Hole Transporting Materials Based on Benzodithiophene and Dithienopyrrole Cores for Efficient Perovskite Solar Cells.
R. Sandoval-Torrientes, I. Zimmermann, J. Calbo, J. Aragó, J. Santos, E. Ortí, N. Martín, M.K. Nazee.  
J. Matter. Chem. A 2018, 6, 5944 - 5951. 2018. DOI: https://doi.org/10.1039/C7TA11314E

Hierarchy of Asymmetry at Work: Chain-Dependent Helix-to-Helix Interactions in Supramolecular Polymers.
S. Díaz-Cabrera, Y. Dorca, J. Calbo, J. Aragó, R. Gómez, E. Ortí, L Sánchez.  
Chem. Eur. J. 2018, 24, 2826 - 2831. DOI: https://doi.org/10.1002/chem.201706070

Electronic nature of the emitting triplet in SF5-substituted cationic Ir(III) complexes.
J.M. Junquera-Hernández, J. Escobar, E. Ortí.
Polyhedron. 2018, 140, 1 - 8. DOI: https://doi.org/10.1016/j.poly.2017.10.006

CF3 Substitution of [Cu(P^P)(bpy)][PF6] Complexes: Effects on Photophysical Properties and Light-Emitting Electrochemical Cell Performance.
S. Keller, F. Brunner, J.M. Junquera-Hernández, A. Pertegás, M.-G. La-Placa, A. Prescimone, E.C. Constable, H.J. Bolink, E. Ortí, C.E. Housecroft   
ChemPlusChem. 2018, 83, DOI: https://doi.org/10.1002/cplu.201700501

Bending Carbon Nanoforms for Supramolecular Recognition: A Topological Study on Hemifullerene-Based Aggregates.
J. Calbo, J. Aragó, R.A. Boto, J. Sánchez-Marín, E. Ortí, J. Contreras-García.  
J. Phys. Chem. A. 2018, 122, 1124 - 1137 DOI: https://doi.org/10.1021/acs.jpca.7b11746

Self-Assembly of Clicked Star-Shaped Triazines into Functional Nanostructures,
M. Castillo-Vallés, E. Beltrán, J. Cerdá, J. Aragó, P. Romero, J. L. Serrano, E. Ortí, R. Giménez, T. Sierra.
ChemNanoMat . 2018, 5, 130–137. DOI: http://dx.doi.org/10.1149/ma2020-0271086mtgabs