Molecular doping of blue phosphorene : A first-principles investigation
Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
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Detail(s)
| Original language | English |
|---|---|
| Article number | 055501 |
| Journal / Publication | Journal of Physics Condensed Matter |
| Volume | 32 |
| Issue number | 5 |
| Online published | 30 Oct 2019 |
| Publication status | Published - 30 Jan 2020 |
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| DOI | DOI |
|---|---|
| Attachment(s) | Documents
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| Link to Scopus | https://www.scopus.com/record/display.uri?eid=2-s2.0-85075813376&origin=recordpage |
| Permanent Link | https://scholars.cityu.edu.hk/en/publications/publication(276dad6e-26cb-4e25-b5ac-0a32a844a1e4).html |
Abstract
Using first-principles calculations, we show that p-doped blue phosphorene can be obtained by molecular doping with 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4-TCNQ) and 1,3,4,5,7,8-hexafluorotetracyanonaphthoquinodimethane (F6-TNAP), whereas n-doped blue phosphorene can be realized by doping with tetrathiafulvalene (TTF) and cyclooctadecanonaene (CCO). Moreover, the doping gap can be effectively modulated in each case by applying an external perpendicular electric field. The optical absorption of blue phosphorene can be considerably enhanced in a broad spectral range through the adsorption of CCO, F4-TCNQ, and F6-TNAP molecules, suggesting potential of the doped materials in the field of renewable energy.
Research Area(s)
- absorption, blue phospherene, doping gap, first-principles, molecular doping
Citation Format(s)
Molecular doping of blue phosphorene : A first-principles investigation. / Sun, Minglei; Tang, Wencheng; Li, Song et al.
In: Journal of Physics Condensed Matter, Vol. 32, No. 5, 055501, 30.01.2020.Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
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