Defect-Induced Ultrafast Nonadiabatic Electron-Hole Recombination Process in PtSe2 Monolayer
Defects are inevitable in two-dimensional materials due to the growth condition, which results in many unexpected changes in materials' properties. Here, we have mainly discussed the nonradiative recombination dynamics of PtSe2 monolayer without/with native point defects. Based on first-principles calculations, a shallow p-type defect state is introduced by a Se antisite, and three n-type defect states with a double-degenerate shallow defect state and a deep defect state are introduced by a Se vacancy. Significantly, these defect states couple strongly to the pristine valence band maximum and lead to the enhancement of the in-plane vibrational Eg mode. Both factors appreciably increase the nonadiabatic coupling, accelerating the electron-hole recombination process. An explanation of PtSe2-based photodetectors with the slow response, compared to conventional devices, is provided by studying this nonradiative transitions process.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2022 |
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| Erschienen: |
2022 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:13 |
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| Enthalten in: |
The journal of physical chemistry letters - 13(2022), 47 vom: 01. Dez., Seite 10988-10993 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Huang, Hongfu [VerfasserIn] |
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| Links: |
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| Anmerkungen: |
Date Revised 01.12.2022 published: Print-Electronic Citation Status PubMed-not-MEDLINE |
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| doi: |
10.1021/acs.jpclett.2c03306 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLM349177937 |
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| 245 | 1 | 0 | |a Defect-Induced Ultrafast Nonadiabatic Electron-Hole Recombination Process in PtSe2 Monolayer |
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| 500 | |a Date Revised 01.12.2022 | ||
| 500 | |a published: Print-Electronic | ||
| 500 | |a Citation Status PubMed-not-MEDLINE | ||
| 520 | |a Defects are inevitable in two-dimensional materials due to the growth condition, which results in many unexpected changes in materials' properties. Here, we have mainly discussed the nonradiative recombination dynamics of PtSe2 monolayer without/with native point defects. Based on first-principles calculations, a shallow p-type defect state is introduced by a Se antisite, and three n-type defect states with a double-degenerate shallow defect state and a deep defect state are introduced by a Se vacancy. Significantly, these defect states couple strongly to the pristine valence band maximum and lead to the enhancement of the in-plane vibrational Eg mode. Both factors appreciably increase the nonadiabatic coupling, accelerating the electron-hole recombination process. An explanation of PtSe2-based photodetectors with the slow response, compared to conventional devices, is provided by studying this nonradiative transitions process | ||
| 650 | 4 | |a Journal Article | |
| 700 | 1 | |a Peng, Junhao |e verfasserin |4 aut | |
| 700 | 1 | |a Li, Zixuan |e verfasserin |4 aut | |
| 700 | 1 | |a Dong, Huafeng |e verfasserin |4 aut | |
| 700 | 1 | |a Huang, Le |e verfasserin |4 aut | |
| 700 | 1 | |a Wen, Minru |e verfasserin |4 aut | |
| 700 | 1 | |a Wu, Fugen |e verfasserin |4 aut | |
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