ArticleJournal of the American Chemical Society2026
Theory-Guided Discovery of Ion-Exchanged Poly(heptazine imide) Photocatalysts Using First-Principles Many-Body Perturbation Theory.
Article in Journal of the American Chemical Society, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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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
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Who cites it
2 citing papers in PubMed.
- Plasmonic Hot-Electron Transfer in Gold-Nanostar-Conjugated Poly(heptazine imide) Photocatalyst.Nano letters · 2026Article
- Green Supercritical CONanomaterials (Basel, Switzerland) · 2026Article
Corrections and comments
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Poly(heptazine imides) (PHI) show strong promise in photocatalysis, but limited control over electronic properties continues to constrain their full potential. We modulated PHI's photocatalytic activity to overcome this limitation by incorporating mono-, di-, and trivalent metal cations into its framework. We employed calculations based on many-body perturbation theory─a highly accurate approach for electronic structure calculations─which provides improved accuracy in quasiparticle energy predictions compared to conventional density functional theory, particularly for band gaps and excitonic properties, to elucidate the underlying mechanisms. The coupling between exchanged metals and the resulting optoelectronic properties is often nontrivial: Pd, Pt, and Cu
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Registered trials
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