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 …

Unconventional singlet fission materials

T Ullrich, D Munz, DM Guldi - Chemical Society Reviews, 2021 - pubs.rsc.org
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 …

Quintet multiexciton dynamics in singlet fission

MJY Tayebjee, SN Sanders, E Kumarasamy… - Nature Physics, 2017 - nature.com
Singlet fission, in which two triplet excitons are generated from a single absorbed photon, is
a key third-generation solar cell concept. Conservation of angular momentum requires that …

Singlet fission involves an interplay between energetic driving force and electronic coupling in perylenediimide films

AK Le, JA Bender, DH Arias, DE Cotton… - Journal of the …, 2018 - ACS Publications
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 …

Efficient multiexciton state generation in charge-transfer-coupled perylene bisimide dimers via structural control

Y Hong, J Kim, W Kim, C Kaufmann, H Kim… - Journal of the …, 2020 - ACS Publications
The singlet fission (SF) process is generally defined as the conversion of one singlet exciton
(S1) into two triplet excitons (2· T1), which has the potential to overcome thermalization …

Spin-flip methods in quantum chemistry

D Casanova, AI Krylov - Physical Chemistry Chemical Physics, 2020 - pubs.rsc.org
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 …

Triplet-pair states in organic semiconductors

AJ Musser, J Clark - Annual review of physical chemistry, 2019 - annualreviews.org
Entanglement of states is one of the most surprising and counterintuitive consequences of
quantum mechanics, with potent applications in cryptography and computing. In organic …

Endothermic singlet fission is hindered by excimer formation

CB Dover, JK Gallaher, L Frazer, PC Tap**… - Nature …, 2018 - nature.com
Singlet fission is a process whereby two triplet excitons can be produced from one photon,
potentially increasing the efficiency of photovoltaic devices. Endothermic singlet fission is …

Linker-dependent singlet fission in tetracene dimers

NV Korovina, J Joy, X Feng… - Journal of the …, 2018 - ACS Publications
Separation of triplet excitons produced by singlet fission is crucial for efficient application of
singlet fission materials. While earlier works explored the first step of singlet fission, the …

Molecular insights and concepts to engineer singlet fission energy conversion devices

R Casillas, I Papadopoulos, T Ullrich, D Thiel… - Energy & …, 2020 - pubs.rsc.org
In this Review, we showcase the fundamental processes of intermolecular and
intramolecular singlet fission (SF). Furthermore we prioritize the information, which is …