Person
Maria Fumanal Quintana
This person is no longer with EPFL
Related publications (11)
Optimizing the Thermodynamics and Kinetics of the Triplet-Pair Dissociation in Donor–Acceptor Copolymers for Intramolecular Singlet Fission
Singlet fission (SF) is a two-step process in which a singlet splits into two triplets throughout the so-called correlated triplet-pair (1TT) state. Intramolecular SF (iSF) materials, in particular, have attracted growing interest as they can be easily imp ...
2022Donor-Acceptor-Donor "Hot Exciton" Triads for High Reverse Intersystem Crossing in OLEDs
Sergio Vela Llausi, Maria Fumanal Quintana, Yanan Zhu
Hot exciton materials have the potential to improve the quantum efficiency of organic light-emitting diodes (OLEDs) by promoting high reversed intersystem crossing (hRISC) between a high-lying triplet (T-n, n >= 2) and a radiative singlet (S-m). In recent ...
WILEY-V C H VERLAG GMBH2022Pushing the Limits of the Donor-Acceptor Copolymer Strategy for Intramolecular Singlet Fission
Donor-acceptor (D-A) copolymers have shown great potential for intramolecular singlet fission (iSF). Nonetheless, very few design principles exist for optimizing these systems for iSF, with very little knowledge about how to engineer them for this purpose. ...
AMER CHEMICAL SOC2021Heteroatom oxidation controls singlet-triplet energy splitting in singlet fission building blocks
Yuri Cho, Sergio Vela Llausi, Maria Fumanal Quintana, Jacob Terence Blaskovits
Singlet fission (SF) is a promising multiexciton-generating process. Its demanding energy splitting criterion - that the S-1 energy must be at least twice that of T-1 - has limited the range of materials capable of SF. We propose heteroatom oxidation as a ...
ROYAL SOC CHEMISTRY2021Designing Singlet Fission Candidates from Donor-Acceptor Copolymers
Sergio Vela Llausi, Maria Fumanal Quintana, Jacob Terence Blaskovits
Singlet fission (SF) has demonstrated significant promise for boosting the power conversion efficiency (PCE) of solar cells. Traditionally, SF is targeted as an intermolecular process; however, its dependence on crystal packing makes molecular design diffi ...
AMER CHEMICAL SOC2020Thermal spin crossover in Fe(ii) and Fe(iii). Accurate spin state energetics at the solid state
Sergio Vela Llausi, Maria Fumanal Quintana
The thermal spin crossover (SCO) phenomenon refers to an entropy-driven spin transition in some materials based on d(6)-d(9) transition metal complexes. While its molecular origin is well known, intricate SCO behaviours are increasingly common, in which th ...
ROYAL SOC CHEMISTRY2020Taking lanthanides out of isolation: tuning the optical properties of metal-organic frameworks
Berend Smit, Kevin Sivula, Nestor Guijarro Carratala, Kyriakos Stylianou, Gloria Capano, Andrzej Gladysiak, Christopher Patrick Ireland, Maria Fumanal Quintana, Stavroula Kampouri, Davide Tiana, Samantha Lynn Anderson
Metal organic frameworks (MOFs) are increasingly used in applications that rely on the optical and electronic properties of these materials. These applications require a fundamental understanding on how the structure of these materials, and in particular t ...
2020Direct, Mediated, and Delayed Intramolecular Singlet Fission Mechanism in Donor-Acceptor Copolymers
Donor-acceptor (D-A) extended copolymers have shown great potential to be exploited for intramolecular singlet fission (iSF) because of their modular tunability and intrinsic ability to incorporate low-lying charge-transfer (CT) and a triplet-pair (1TT) st ...
2020Optical absorption properties of metal-organic frameworks: solid stateversusmolecular perspective
Berend Smit, Ivano Tavernelli, Maria Fumanal Quintana
The vast chemical space of metal and ligand combinations in Transition Metal Complexes (TMCs) gives rise to a rich variety of electronic excited states with local and non-local character such as intra-ligand (IL), metal-centered (MC), metal-to-ligand (MLCT ...
2020Energy-based descriptors for photo-catalytically active metal–organic framework discovery
Berend Smit, Ivano Tavernelli, Gloria Capano, Maria Fumanal Quintana, Senja Dominique Barthel
Metal–organic frameworks (MOFs) consist of metal nodes that are connected by organic linkers. They are thus highly chemically tunable materials given the broad range of potential linkers and nodes that can be chosen for their synthesis. Their tunability ha ...
2020