Publications de Gloria Capano | EPFL Graph Search

Energy-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 ...

Royal Society of Chemistry2020

Taking 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

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 ...

2020

Insights into the Electronic Properties and Charge Transfer Mechanism of a Porphyrin Ruthenium-Based Metal–Organic Framework

Berend Smit, Ivano Tavernelli, Gloria Capano, Maria Fumanal Quintana, Andres Adolfo Ortega Guerrero

2020

From Isolated Porphyrin Ligands to Periodic Al-PMOF: A Comparative Study of the Optical Properties Using DFT/TDDFT

Berend Smit, Gloria Capano, Maria Fumanal Quintana, Andres Adolfo Ortega Guerrero

2020

On the Electronic and Optical Properties of Metal-Organic Frameworks: Case Study of MIL-125 and MIL-125-NH2

Berend Smit, Alfredo Pasquarello, Kyriakos Stylianou, Francesco Ambrosio, Gloria Capano, Stavroula Kampouri

The photo-active MIL-125 and MIL-125-NH2 metal-organic frameworks (MOFs), despite having a very similar crystalline structure, exhibit different optical behaviors. Luminescence in MIL-125 decays in about 1 ns, while for its amino counterpart, the lifetime ...

2020

Photocatalytic hydrogen generation from a visible-light responsive metal–organic framework system: the impact of nickel phosphide nanoparticles

Berend Smit, Stavroula Kampouri, László Forró, Kevin Sivula, Andrzej Sienkiewicz, Fatmah Ebrahim, Nestor Guijarro Carratala, Kyriakos Stylianou, Daniele Ongari, Ngoc Tú Nguyên

Royal Society of Chemistry2018

Lanthanide-based near-infrared emitting metal-organic frameworks with tunable excitation wavelengths and high quantum yields

Berend Smit, Fatmah Ebrahim, Kyriakos Stylianou, Ngoc Tú Nguyên, Gloria Capano, Andrzej Gladysiak, Arunraj Chidambaram, Bardiya Valizadeh

Royal Society of Chemistry2018

Vibrational coherence transfer in the ultrafast intersystem crossing of a diplatinum complex in solution

Majed Chergui, Ivano Tavernelli, Gloria Capano, Gerald Auböck, Roberto Monni

National Academy of Sciences2018

Localized holes and delocalized electrons in photoexcited inorganic perovskites: Watching each atomic actor by picosecond X-ray absorption spectroscopy

Majed Chergui, Gloria Capano, Thomas Charles Henry Rossi, Andre Al Haddad, Dominik Kinschel, Lars-Hendrik Mewes, Jakob Grilj, Fabio Giacomo Santomauro, James Michael Budarz

We report on an element-selective study of the fate of charge carriers in photoexcited inorganic CsPbBr3 and CsPb(ClBr)(3) perovskite nanocrystals in toluene solutions using time-resolved X-ray absorption spectroscopy with 80 ps time resolution. Probing th ...

Amer Inst Physics2017

Photophysics of a copper phenanthroline elucidated by trajectory and wavepacket-based quantum dynamics: a synergetic approach

Majed Chergui, Ivano Tavernelli, Gloria Capano, Thomas James Penfold

On-the-fly excited state molecular dynamics is a valuable method for studying non-equilibrium processes in excited states and is beginning to emerge as a mature approach much like its ground state counterparts. In contrast to quantum wavepacket dynamics me ...

Royal Society of Chemistry2017