Unlocking anthracene for high-efficiency singlet fission: the role of substitution and mutual orientation
Year: 2026
Type: article
Abstract: A unified inverse-design protocol combines ML screening and physics-informed PSO to explore over 2 million anthracenes, identify 1002 SF candidates, and optimize their molecular orientations.
Source: Materials Chemistry Frontiers
DOI: 10.1039/d6qm00695g
Institution: Universidad de Granada
Language: English
Subfield: Electrical and Electronic Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: hybrid
OpenAlex ID: W7214933367