ArticleACS omega2021
Can We Predict Interface Dipoles Based on Molecular Properties?
Article in ACS omega, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
1 citing paper in PubMed.
- Donor-Acceptor Co-Adsorption Ratio Controls the Structure and Electronic Properties of Two-Dimensional Alkali-Organic Networks on Ag(100).The journal of physical chemistry. C, Nanomaterials and interfaces · 2023Article
Corrections and comments
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
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 constituents. We separately investigate two cases: (1) hypothetical, free-standing self-assembled monolayers with a large intrinsic dipole moment and (2) metal-organic interfaces with a large charge-transfer-induced dipole. For the former, we find, without notable prior assumptions, the Topping model, as expected from the literature. For the latter, highly accurate correlations are found, which are, however, clearly unphysical.
Identifiers
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Registered trials
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