ArticleJournal of the American Chemical Society2022
Electron and Hole Mobilities in Bulk Hematite from Spin-Constrained Density Functional Theory.
Article in Journal of the American Chemical Society, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 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.
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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
7 citing papers in PubMed, 52 citations in OpenAlex.
- Evidence for Spin Polarization and Lattice Oxygen Migration During Cyclohexane Oxidation Over CoOAngewandte Chemie (International ed. in English) · 2026Article
- Density Functional Theory Study of Iron-Oxygen Divacancies in Magnetite (FeThe journal of physical chemistry. C, Nanomaterials and interfaces · 2025Article
- Mechanism of Fe(II) Chemisorption on Hematite(001) Revealed by Reactive Neural Network Potential Molecular Dynamics.The journal of physical chemistry letters · 2025Article
- Real-space investigation of polarons in hematite FeScience advances · 2024Article
- Single Crystalline α-FeACS omega · 2023Article
- Interface Engineering of CoFe-LDH Modified Ti: α-FeNanomaterials (Basel, Switzerland) · 2023Article
- Implementation and Validation of Constrained Density Functional Theory Forces in the CP2K Package.Journal of chemical theory and computation · 2022Article
Corrections and comments
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Authors and funding
3 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Transition metal oxide materials have attracted much attention for photoelectrochemical water splitting, but problems remain, e.g. the sluggish transport of excess charge carriers in these materials, which is not well understood. Here we use periodic, spin-constrained and gap-optimized hybrid density functional theory to uncover the nature and transport mechanism of holes and excess electrons in a widely used water splitting material, bulk-hematite (α-Fe
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Registered trials
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