Can We Predict Interface Dipoles Based on Molecular Properties?

[Image: see text] We apply high-throughput density functional theory calculations and symbolic regression to hybrid inorganic/organic interfaces with the intent to extract physically meaningful correlations between the adsorption-induced work function modifications and the properties of the constitu...

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Detalles Bibliográficos
Autores principales: Cartus, Johannes J., Jeindl, Andreas, Hofmann, Oliver T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8638305/
https://www.ncbi.nlm.nih.gov/pubmed/34870047
http://dx.doi.org/10.1021/acsomega.1c05092

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8638305/
https://www.ncbi.nlm.nih.gov/pubmed/34870047
http://dx.doi.org/10.1021/acsomega.1c05092

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