Supporting Data for: "Electronic-Structure Effects on the Exciton Annihilation Radius in Organic Materials"
dataset
posted on 2025-11-03, 08:10 authored by Leonardo Evaristo de SousaLeonardo Evaristo de Sousa<p dir="ltr">S0 and S1 Ensemble files for molecules ACRXTN, BSBCz and CBP for use with the NEMO 2.0 software.</p><p dir="ltr">KMC results with Rf = 0 and Rf != 0. Exciton population curves and fits thereof.</p>
Funding
Theory and design of anti-Hund molecules for biomedical and sustainable energy applications
Novo Nordisk Foundation
Find out more...HarveST: Electronic structure of efficient triplet exciton harvesters with inverted singlet-triplet gaps
Danish Agency for Science and Higher Education
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Related Materials
- 1. DOI - Is supplement to Electronic-Structure Effects on the Exciton Annihilation Radius in Organic Materials
