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• W2574719883 endingPage "2435" @default.
• W2574719883 startingPage "2428" @default.
• W2574719883 abstract "Combining the screening by first-principles calculations and Born–Oppenheimer molecular dynamics simulations, we fully reconsider phosphorene oxidation and the formation of low-dimensional phosphorus oxides (PxOy). It is found that the previously reported 2-dimensional PxOy (2d-PxOy) structures cannot provide a full understanding of 2d-PxOy properties. We show that the P–O interaction can result in highly stable 0d-PxOy and 2d-PxOy structures with close energetics, but a noticeable difference in band-gap energies. Here, the possibility of the formation of amorphous 2d-PxOy structures and their unique electronic properties are also studied in detail." @default.
• W2574719883 created "2017-01-26" @default.
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• W2574719883 date "2017-01-01" @default.
• W2574719883 modified "2023-09-28" @default.
• W2574719883 title "Stability and electronic properties of phosphorene oxides: from 0-dimensional to amorphous 2-dimensional structures" @default.
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• W2574719883 doi "https://doi.org/10.1039/c6nr08810d" @default.
• W2574719883 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/28150839" @default.
• W2574719883 hasPublicationYear "2017" @default.
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