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Recent advances in triplet–triplet annihilation upconversion and singlet fission, towards solar energy applications
Solar energy is an ample renewable energy resource, with photovoltaic (PV) technology
enabling a direct route from light to electricity. Currently, PVs are limited in photon …
enabling a direct route from light to electricity. Currently, PVs are limited in photon …
Triplet pair states in singlet fission
This account aims at providing an understanding of singlet fission, ie, the photophysical
process of a singlet state (S1) splitting into two triplet states (2× T1) in molecular …
process of a singlet state (S1) splitting into two triplet states (2× T1) in molecular …
Theoretical modeling of singlet fission
D Casanova - Chemical reviews, 2018 - ACS Publications
Singlet fission is a photophysical reaction in which a singlet excited electronic state splits
into two spin-triplet states. Singlet fission was discovered more than 50 years ago, but the …
into two spin-triplet states. Singlet fission was discovered more than 50 years ago, but the …
Mixed electronic states in molecular dimers: Connecting singlet fission, excimer formation, and symmetry-breaking charge transfer
Conspectus Chromophore aggregates are capable of a wide variety of excited-state
dynamics that are potentially of great use in optoelectronic devices based on organic …
dynamics that are potentially of great use in optoelectronic devices based on organic …
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
A summary of the technical advances that are incorporated in the fourth major release of the
q-Chem quantum chemistry program is provided, covering approximately the last seven …
q-Chem quantum chemistry program is provided, covering approximately the last seven …
Unconventional singlet fission materials
Singlet fission (SF) is a photophysical downconversion pathway, in which a singlet excitation
transforms into two triplet excited states. As such, it constitutes an exciton multiplication …
transforms into two triplet excited states. As such, it constitutes an exciton multiplication …
Singlet fission in a covalently linked cofacial alkynyltetracene dimer
Singlet fission is a process in which a singlet exciton converts into two triplet excitons. To
investigate this phenomenon, we synthesized two covalently linked 5-ethynyl-tetracene (ET) …
investigate this phenomenon, we synthesized two covalently linked 5-ethynyl-tetracene (ET) …
Singlet fission involves an interplay between energetic driving force and electronic coupling in perylenediimide films
Due to its ability to offset thermalization losses in photoharvesting systems, singlet fission
has become a topic of research interest. During singlet fission, a high energy spin-singlet …
has become a topic of research interest. During singlet fission, a high energy spin-singlet …
Vibronically coherent ultrafast triplet-pair formation and subsequent thermally activated dissociation control efficient endothermic singlet fission
Singlet exciton fission (SF), the conversion of one spin-singlet exciton (S1) into two spin-
triplet excitons (T1), could provide a means to overcome the Shockley–Queisser limit in …
triplet excitons (T1), could provide a means to overcome the Shockley–Queisser limit in …
Spin-flip methods in quantum chemistry
This Perspective discusses salient features of the spin-flip approach to strong correlation
and describes different methods that sprung from this idea. The spin-flip treatment exploits …
and describes different methods that sprung from this idea. The spin-flip treatment exploits …