Zobrazeno 1 - 10
of 280
pro vyhledávání: '"Oliver Kühn"'
Publikováno v:
Molecules, Vol 28, Iss 13, p 5185 (2023)
The design of highly efficient sensitizers is one of the most significant areas in dye-sensitized solar cell (DSSC) research. We studied a series of benzothiadiazole-based D-π-π-A organic dyes, putting emphasis on the influence of the donor moiety
Externí odkaz:
https://doaj.org/article/b50318ab14864022b977b97101863923
Publikováno v:
Frontiers in Forests and Global Change, Vol 3 (2020)
The fate of phosphorus (P) in the eco-system is strongly affected by the interaction of phosphates with soil components and especially reactive soil mineral surfaces. As a consequence, P immobilization occurs which eventually leads to P inefficiency
Externí odkaz:
https://doaj.org/article/fa4b40c49cfc4311bbd7391feefc5ccb
Publikováno v:
Molecules, Vol 26, Iss 1, p 160 (2020)
Today’s fertilizers rely heavily on mining phosphorus (P) rocks. These rocks are known to become exhausted in near future, and therefore effective P use is crucial to avoid food shortage. A substantial amount of P from fertilizers gets adsorbed ont
Externí odkaz:
https://doaj.org/article/f9922ef9d5bc4b14a8325039f2a2aa59
Autor:
Azhr A. Raheem, Martin Wilke, Mario Borgwardt, Nicholas Engel, Sergey I. Bokarev, Gilbert Grell, Saadullah G. Aziz, Oliver Kühn, Igor Yu. Kiyan, Christoph Merschjann, Emad F. Aziz
Publikováno v:
Structural Dynamics, Vol 4, Iss 4, Pp 044031-044031-15 (2017)
The kinetics of ultrafast photoinduced structural changes in linkage isomers is investigated using Na2[Fe(CN)5NO] as a model complex. The buildup of the metastable side-on configuration of the NO ligand, as well as the electronic energy levels of gro
Externí odkaz:
https://doaj.org/article/bfd176816a0f4f7eb1dc7e97f5274dbf
Publikováno v:
Structural Dynamics, Vol 3, Iss 6, Pp 062601-062601-11 (2016)
The Frenkel exciton model was adapted to describe X-ray absorption and resonant inelastic scattering spectra of polynuclear transition metal complexes by means of the restricted active space self-consistent field method. The proposed approach allo
Externí odkaz:
https://doaj.org/article/3bfd6935e3534cd39b6c168d0c30e89c
Autor:
Olga S. Bokareva, Tobias Möhle, Antje Neubauer, Sergey I. Bokarev, Stefan Lochbrunner, Oliver Kühn
Publikováno v:
Inorganics, Vol 5, Iss 2, p 23 (2017)
Cyclometalated Ir(III) complexes are of particular interest due to the wide tunability of their electronic structure via variation of their ligands. Here, a series of heteroleptic Ir-based photosensitizers with the general formula [Ir(C^N)2(N^N)]+ ha
Externí odkaz:
https://doaj.org/article/fd83d71128cb43d781ad239f4ad2da66
Publikováno v:
New Journal of Physics, Vol 16, Iss 4, p 045010 (2014)
The recently suggested possibility that weak vibronic transitions can be excitonically enhanced in light-harvesting complexes is studied in detail. A vibronic exciton dimer model that includes ground-state vibrations is investigated using the multi-c
Externí odkaz:
https://doaj.org/article/cf8a27b7790c4baeac9c7bb5d05f4cce
Autor:
Yun-an Yan, Oliver Kühn
Publikováno v:
New Journal of Physics, Vol 14, Iss 10, p 105004 (2012)
There are two types of two-photon transitions in molecular aggregates: non-local excitations of two monomers and local double excitations to some higher excited intra-monomer electronic state. As a consequence of the inter-monomer Coulomb interaction
Externí odkaz:
https://doaj.org/article/83899a7f4c864a3fb18e7d919ffb274c
Autor:
Steffen Wolter, Janis Aizezers, Franziska Fennel, Marcus Seidel, Frank Würthner, Oliver Kühn, Stefan Lochbrunner
Publikováno v:
New Journal of Physics, Vol 14, Iss 10, p 105027 (2012)
The size-dependent exciton dynamics of one-dimensional aggregates of substituted perylene bisimides are studied by ultrafast transient absorption spectroscopy and kinetic Monte-Carlo simulations as a function of the excitation density and the tempera
Externí odkaz:
https://doaj.org/article/44b7507696164b51bcd6fa2184c8fcd3
Autor:
Andy Kaiser, Razan E. Daoud, Francesco Aquilante, Oliver Kühn, Luca De Vico, Sergey I. Bokarev
Publikováno v:
Journal of Chemical Theory and Computation. 19:2918-2928
We present an implementation of the Frenkel exciton model into the OpenMolcas program package enabling calculations of collective electronic excited states of molecular aggregates based on a multiconfigurational wave function description of the indiv
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::43f4d839eaed35efc06f2e09bafd7b5e
https://doi.org/10.1021/acs.jctc.3c00185
https://doi.org/10.1021/acs.jctc.3c00185