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 …

Open-shell graphene fragments

W Zeng, J Wu - Chem, 2021 - cell.com
The electronic properties of finite-sized graphene fragments are strongly dependent on their
topological structures. The existence of two or more extended zigzag edges could lead to …

Diradicals

M Abe - Chemical Reviews, 2013 - ACS Publications
Open-shell molecules such as radicals, carbenes, and electronically excited-state molecules
exhibit high energies, and thus, in general, they are quite reactive. 1 The short-lived species …

Synthetic Tailoring of graphene nanostructures with zigzag‐edged topologies: progress and perspectives

J Liu, X Feng - Angewandte Chemie International Edition, 2020 - Wiley Online Library
Experimental and theoretical investigations have revealed that the chemical and physical
properties of graphene are crucially determined by their topological structures. Therefore …

Evolution of the electronic structure in open-shell donor-acceptor organic semiconductors

Z Chen, W Li, MA Sabuj, Y Li, W Zhu, M Zeng… - Nature …, 2021 - nature.com
Most organic semiconductors have closed-shell electronic structures, however, studies have
revealed open-shell character emanating from design paradigms such as narrowing the …

Low band gap polycyclic hydrocarbons: from closed-shell near infrared dyes and semiconductors to open-shell radicals

Z Sun, Q Ye, C Chi, J Wu - Chemical Society Reviews, 2012 - pubs.rsc.org
Low band gap (Eg< 1.5 eV) polycyclic hydrocarbons have become one of the most important
types of materials for many applications, for example, as semiconductors in organic field …

Zethrenes, Extended p-Quinodimethanes, and Periacenes with a Singlet Biradical Ground State

Z Sun, Z Zeng, J Wu - Accounts of chemical research, 2014 - ACS Publications
Conspectus Researchers have studied polycyclic aromatic hydrocarbons (PAHs) for more
than 100 years, and most PAHs in the neutral state reported so far have a closed-shell …

From open-shell singlet diradicaloids to polyradicaloids

TY Gopalakrishna, W Zeng, X Lu, J Wu - Chemical Communications, 2018 - pubs.rsc.org
In this Feature Article, we highlight our recent efforts toward stable open-shell singlet
diradicaloids and polyradicaloids. A brief review on the historical works in the area is …

Diradical‐Featured Organic Small‐Molecule Photothermal Material with High‐Spin State in Dimers for Ultra‐Broadband Solar Energy Harvesting

J Sun, E Zhao, J Liang, H Li, S Zhao… - Advanced …, 2022 - Wiley Online Library
Organic materials with radical characteristics are gaining increasing attention, due to their
potential implications in highly efficient utilization of solar energy. Manipulating …