Exfoliation of borophenes from silver substrates assisted by Li/Mg atoms—a density functional theory study
The exfoliation of monolayer borophenes from substrates is deemed a prerequisite for their further applications. Detailed density functional theory calculations performed herein indicate that Li/Mg adatoms evenly distributed on a borophene tend to transform the interaction between borophene and the...
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| Published in | Journal of Materials Chemistry C Vol. 7; no. 14; pp. 4043 - 4048 |
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| Main Authors | , , |
| Format | Journal Article |
| Language | English |
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Cambridge
Royal Society of Chemistry (RSC)
01.01.2019
Royal Society of Chemistry |
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| Abstract | The exfoliation of monolayer borophenes from substrates is deemed a prerequisite for their further applications. Detailed density functional theory calculations performed herein indicate that Li/Mg adatoms evenly distributed on a borophene tend to transform the interaction between borophene and the Ag(111) substrate into van der Waals-like interaction and help to separate them, making the exfoliation of borophenes from substrates much easier. It is also possible for Li/Mg atoms to intercalate below borophene from borophene edges to separate borophene from the substrate. The results obtained in this work may facilitate the exfoliation of borophenes from metal substrates in future experiments.
Li/Mg atom adsorption or intercalation makes the exfoliation of monolayer borophenes from silver substrates much easier. |
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| AbstractList | The exfoliation of monolayer borophenes from substrates is deemed a prerequisite for their further applications. Detailed density functional theory calculations performed herein indicate that Li/Mg adatoms evenly distributed on a borophene tend to transform the interaction between borophene and the Ag(111) substrate into van der Waals-like interaction and help to separate them, making the exfoliation of borophenes from substrates much easier. It is also possible for Li/Mg atoms to intercalate below borophene from borophene edges to separate borophene from the substrate. The results obtained in this work may facilitate the exfoliation of borophenes from metal substrates in future experiments.
Li/Mg atom adsorption or intercalation makes the exfoliation of monolayer borophenes from silver substrates much easier. The exfoliation of monolayer borophenes from substrates is deemed a prerequisite for their further applications. Detailed density functional theory calculations performed herein indicate that Li/Mg adatoms evenly distributed on a borophene tend to transform the interaction between borophene and the Ag(111) substrate into van der Waals-like interaction and help to separate them, making the exfoliation of borophenes from substrates much easier. It is also possible for Li/Mg atoms to intercalate below borophene from borophene edges to separate borophene from the substrate. The results obtained in this work may facilitate the exfoliation of borophenes from metal substrates in future experiments. |
| Author | Si-Dian Li Yuewen Mu Yingping Wang |
| AuthorAffiliation | Key Laboratory of Materials for Energy Conversion and Storage of Shanxi Province Shanxi University Institute of Molecular Science |
| AuthorAffiliation_xml | – sequence: 0 name: Key Laboratory of Materials for Energy Conversion and Storage of Shanxi Province – sequence: 0 name: Shanxi University – sequence: 0 name: Institute of Molecular Science |
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| BackLink | https://cir.nii.ac.jp/crid/1870302167684929408$$DView record in CiNii |
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| Title | Exfoliation of borophenes from silver substrates assisted by Li/Mg atoms—a density functional theory study |
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