ArticleACS omega2020
Do HOMO-LUMO Energy Levels and Band Gaps Provide Sufficient Understanding of Dye-Sensitizer Activity Trends for Water Purification?
Article in ACS omega, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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
4 citing papers in PubMed.
- Article
- Evolutionary Monte Carlo of QM Properties in Chemical Space: Electrolyte Design.Journal of chemical theory and computation · 2023Article
- Energy Component Analysis for Electronically Excited States of Molecules: Why the Lowest Excited State Is Not Always the HOMO/LUMO Transition.Journal of chemical theory and computation · 2023Article
- Article
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
A dye-sensitized solar cell assembly can be used to harvest solar energy, while suitable dye sensitizers can be used to purify water. Here, we characterized the activity trends of four dye sensitizers, namely, PORPC-1, PORPC-2, PORPC-3, and PORPC-4, for water purification applications using density functional theory (DFT) with the Perdew-Burke-Ernzerhof (PBE), B3LYP, and PBE0 functionals, ΔSCF, time-dependent DFT (TD-DFT), and quasiparticle Green's function (
Identifiers
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Registered trials
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