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Combining Metal Nanoparticles with an Ir(III) Photosensitizer

Title data

Hammon, Sebastian ; Klarner, Mara ; Hörner, Gerald ; Weber, Birgit ; Friedrich, Martin ; Senker, Jürgen ; Kempe, Rhett ; Branquinho de Queiroz, Thiago ; Kümmel, Stephan:
Combining Metal Nanoparticles with an Ir(III) Photosensitizer.
In: The Journal of Physical Chemistry C. Vol. 125 (2021) Issue 46 . - pp. 25765-25773.
ISSN 1932-7455
DOI: https://doi.org/10.1021/acs.jpcc.1c05756

Abstract in another language

We report on a new photocatalytic system that consists of aniridium-based photosensitizer that has been encapsulated into the pores of themetal−organic framework (MOF) MIL-101, which have then been loaded withmetal nanoparticles. Loading with Nileads to substantially increasedphotocatalytic hydrogen evolution rates, whereas loading with Pt and Pdleads to only a small increase or none at all, respectively. These experimentalfindings triggered us to theoretically study the combination of the photo-sensitizer and metal cluster in detail. Time-dependent density functional theorycalculations with an optimally tuned range-separated hybrid functional showthat the optical excitations of systems, in which the iridium-based photo-sensitizer is combined with a metal cluster, involve a pronounced chargetransfer from the metal to the photosensitizer. Density functional calculations show that the binding energy between thephotosensitizer and the metal cluster is considerably larger for Ni than for Pd and Pt.

Further data

Item Type: Article in a journal
Refereed: Yes
Additional notes: WOS:000731170500002
Institutions of the University: Faculties
Faculties > Faculty of Mathematics, Physics und Computer Science
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Chair Theoretical Physics IV
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Chair Theoretical Physics IV > Chair Theoretical Physics IV - Univ.-Prof. Dr. Stephan Kümmel
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Inorganic Chemistry III > Chair Inorganic Chemistry III - Univ.-Prof. Dr. Jürgen Senker
Research Institutions > Research Centres > Nordbayerisches Zentrum für NMR-Spektroskopie - NMR-Zentrum
Faculties > Faculty of Biology, Chemistry and Earth Sciences
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Inorganic Chemistry III
Research Institutions
Research Institutions > Research Centres
Result of work at the UBT: Yes
DDC Subjects: 500 Science
500 Science > 530 Physics
500 Science > 540 Chemistry
Date Deposited: 09 Dec 2021 11:45
Last Modified: 03 Feb 2022 08:47
URI: https://eref.uni-bayreuth.de/id/eprint/68109