[HTML][HTML] 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 …

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 …

Transferable multilevel attention neural network for accurate prediction of quantum chemistry properties via multitask learning

Z Liu, L Lin, Q Jia, Z Cheng, Y Jiang… - Journal of chemical …, 2021 - ACS Publications
The development of efficient models for predicting specific properties through machine
learning is of great importance for the innovation of chemistry and material science …

Effect of increasing the descriptor set on machine learning prediction of small molecule-based organic solar cells

ZW Zhao, M del Cueto, Y Geng, A Troisi - Chemistry of Materials, 2020 - ACS Publications
In this work, we analyzed a data set formed by 566 donor/acceptor pairs, which are part of
organic solar cells recently reported. We explored the effect of different descriptors in …

Identification of Unknown Inverted Singlet–Triplet Cores by High-Throughput Virtual Screening

OH Omar, X Xie, A Troisi, D Padula - Journal of the American …, 2023 - ACS Publications
Molecules where the energy of the lowest excited singlet state is found below the energy of
the lowest triplet state (inverted singlet–triplet molecules) are extremely rare. It is particularly …

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 …

Concurrent optimization of organic donor–acceptor pairs through machine learning

D Padula, A Troisi - Advanced Energy Materials, 2019 - Wiley Online Library
In this work an instance of the general problem occurring when optimizing multicomponent
materials is treated: can components be optimized separately or the optimization should …

Prospects of coupled organic–inorganic nanostructures for charge and energy transfer applications

AM Steiner, F Lissel, A Fery, J Lauth… - Angewandte Chemie …, 2021 - Wiley Online Library
We review the field of organic–inorganic nanocomposites with a focus on materials that
exhibit a significant degree of electronic coupling across the hybrid interface. These …

Singlet Fission in Carbene‐Derived Diradicaloids

T Ullrich, P Pinter, J Messelberger, P Haines… - Angewandte …, 2020 - Wiley Online Library
Herein, we present a new class of singlet fission (SF) materials based on diradicaloids of
carbene scaffolds, namely cyclic (alkyl)(amino) carbenes (CAACs). Our modular approach …

[HTML][HTML] Excited state character of Cibalackrot-type compounds interpreted in terms of Hückel-aromaticity: a rationale for singlet fission chromophore design

W Zeng, O El Bakouri, DW Szczepanik, H Bronstein… - Chemical …, 2021 - pubs.rsc.org
The exact energies of the lowest singlet and triplet excited states in organic chromophores
are crucial to their performance in optoelectronic devices. The possibility of utilizing singlet …