Recent advances in triplet–triplet annihilation upconversion and singlet fission, towards solar energy applications

AJ Carrod, V Gray, K Börjesson - Energy & Environmental Science, 2022 - pubs.rsc.org
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 …

Triplet pair states in singlet fission

K Miyata, FS Conrad-Burton, FL Geyer… - Chemical reviews, 2019 - ACS Publications
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 …

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 …

Mixed electronic states in molecular dimers: Connecting singlet fission, excimer formation, and symmetry-breaking charge transfer

RM Young, MR Wasielewski - Accounts of chemical research, 2020 - ACS Publications
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 …

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Y Shao, Z Gan, E Epifanovsky, ATB Gilbert… - Molecular …, 2015 - Taylor & Francis
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 …

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 …

Singlet fission in a covalently linked cofacial alkynyltetracene dimer

NV Korovina, S Das, Z Nett, X Feng, J Joy… - Journal of the …, 2016 - ACS Publications
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) …

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 …

Vibronically coherent ultrafast triplet-pair formation and subsequent thermally activated dissociation control efficient endothermic singlet fission

HL Stern, A Cheminal, SR Yost, K Broch, SL Bayliss… - Nature …, 2017 - nature.com
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 …

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 …