A quantitative evaluation of computational methods to accelerate the study of alloxazine-derived electroactive compounds for energy storage

Alloxazines are a promising class of organic electroactive compounds for application in aqueous redox flow batteries (ARFBs), whose redox properties need to be tuned further for higher performance. High-throughput computational screening (HTCS) enables rational and time-efficient study of energy sto...

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Detalles Bibliográficos
Autores principales: Zhang, Qi, Khetan, Abhishek, Er, Süleyman
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7892830/
https://www.ncbi.nlm.nih.gov/pubmed/33603045
http://dx.doi.org/10.1038/s41598-021-83605-2

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7892830/
https://www.ncbi.nlm.nih.gov/pubmed/33603045
http://dx.doi.org/10.1038/s41598-021-83605-2

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