Electron‐Beam‐Induced Adatom‐Vacancy‐Complexes in Mono‐ and Bilayer Phosphorene
Abstract Phosphorene, a puckered 2D allotrope of phosphorus, has sparked considerable interest in recent years due to its potential especially for optoelectronic applications with its layer‐number‐dependant direct band gap and strongly bound excitons. However, detailed experimentalcharacterization o...
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| Language: | English |
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Wiley-VCH
2025-05-01
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| Series: | Advanced Materials Interfaces |
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| Online Access: | https://doi.org/10.1002/admi.202400784 |
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| author | Carsten Speckmann Andrea Angeletti Lukáš Kývala David Lamprecht Felix Herterich Clemens Mangler Lado Filipovic Christoph Dellago Cesare Franchini Jani Kotakoski |
| author_facet | Carsten Speckmann Andrea Angeletti Lukáš Kývala David Lamprecht Felix Herterich Clemens Mangler Lado Filipovic Christoph Dellago Cesare Franchini Jani Kotakoski |
| author_sort | Carsten Speckmann |
| collection | DOAJ |
| description | Abstract Phosphorene, a puckered 2D allotrope of phosphorus, has sparked considerable interest in recent years due to its potential especially for optoelectronic applications with its layer‐number‐dependant direct band gap and strongly bound excitons. However, detailed experimentalcharacterization of its intrinsic defects as well as its defect creation characteristics under electron irradiation are scarce. Here, the creation and stability of a variety of defect configurations under 60 kV electron irradiation in mono‐ and bilayer phosphorene are reported including the first experimental reports of stable adatom‐vacancy‐complexes. Displacement cross section measurements in bilayer phosphorene yield a value of 7.7 ± 1.4 barn with an estimated lifetime of adatom‐vacancy‐complexes of 19.9 ± 0.7 s, while some are stable for up to 68 s under continuous electron irradiation. Surprisingly, ab initio‐based simulations indicate that the complexes should readily recombine, even in structures strained by up to 3%. The presented results will help to improve the understanding of the wide variety of defects in phosphorene, their creation, and their stability, which may enable new pathways for defect engineered phosphorene devices. |
| format | Article |
| id | doaj-art-c1cd82a72c4f43de8104d6b25dbfa63f |
| institution | OA Journals |
| issn | 2196-7350 |
| language | English |
| publishDate | 2025-05-01 |
| publisher | Wiley-VCH |
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| series | Advanced Materials Interfaces |
| spelling | doaj-art-c1cd82a72c4f43de8104d6b25dbfa63f2025-08-20T02:11:08ZengWiley-VCHAdvanced Materials Interfaces2196-73502025-05-01129n/an/a10.1002/admi.202400784Electron‐Beam‐Induced Adatom‐Vacancy‐Complexes in Mono‐ and Bilayer PhosphoreneCarsten Speckmann0Andrea Angeletti1Lukáš Kývala2David Lamprecht3Felix Herterich4Clemens Mangler5Lado Filipovic6Christoph Dellago7Cesare Franchini8Jani Kotakoski9Faculty of Physics University of Vienna 1090 Vienna AustriaFaculty of Physics University of Vienna 1090 Vienna AustriaFaculty of Physics University of Vienna 1090 Vienna AustriaFaculty of Physics University of Vienna 1090 Vienna AustriaFaculty of Physics University of Vienna 1090 Vienna AustriaFaculty of Physics University of Vienna 1090 Vienna AustriaInstitute for Microelectronics TU Wien 1040 Vienna AustriaFaculty of Physics University of Vienna 1090 Vienna AustriaFaculty of Physics University of Vienna 1090 Vienna AustriaFaculty of Physics University of Vienna 1090 Vienna AustriaAbstract Phosphorene, a puckered 2D allotrope of phosphorus, has sparked considerable interest in recent years due to its potential especially for optoelectronic applications with its layer‐number‐dependant direct band gap and strongly bound excitons. However, detailed experimentalcharacterization of its intrinsic defects as well as its defect creation characteristics under electron irradiation are scarce. Here, the creation and stability of a variety of defect configurations under 60 kV electron irradiation in mono‐ and bilayer phosphorene are reported including the first experimental reports of stable adatom‐vacancy‐complexes. Displacement cross section measurements in bilayer phosphorene yield a value of 7.7 ± 1.4 barn with an estimated lifetime of adatom‐vacancy‐complexes of 19.9 ± 0.7 s, while some are stable for up to 68 s under continuous electron irradiation. Surprisingly, ab initio‐based simulations indicate that the complexes should readily recombine, even in structures strained by up to 3%. The presented results will help to improve the understanding of the wide variety of defects in phosphorene, their creation, and their stability, which may enable new pathways for defect engineered phosphorene devices.https://doi.org/10.1002/admi.2024007842D materials; defects; density‐functional theory; high‐dimensional neural network potentialsphosphorenescanning transmission electron microscopy |
| spellingShingle | Carsten Speckmann Andrea Angeletti Lukáš Kývala David Lamprecht Felix Herterich Clemens Mangler Lado Filipovic Christoph Dellago Cesare Franchini Jani Kotakoski Electron‐Beam‐Induced Adatom‐Vacancy‐Complexes in Mono‐ and Bilayer Phosphorene Advanced Materials Interfaces 2D materials; defects; density‐functional theory; high‐dimensional neural network potentials phosphorene scanning transmission electron microscopy |
| title | Electron‐Beam‐Induced Adatom‐Vacancy‐Complexes in Mono‐ and Bilayer Phosphorene |
| title_full | Electron‐Beam‐Induced Adatom‐Vacancy‐Complexes in Mono‐ and Bilayer Phosphorene |
| title_fullStr | Electron‐Beam‐Induced Adatom‐Vacancy‐Complexes in Mono‐ and Bilayer Phosphorene |
| title_full_unstemmed | Electron‐Beam‐Induced Adatom‐Vacancy‐Complexes in Mono‐ and Bilayer Phosphorene |
| title_short | Electron‐Beam‐Induced Adatom‐Vacancy‐Complexes in Mono‐ and Bilayer Phosphorene |
| title_sort | electron beam induced adatom vacancy complexes in mono and bilayer phosphorene |
| topic | 2D materials; defects; density‐functional theory; high‐dimensional neural network potentials phosphorene scanning transmission electron microscopy |
| url | https://doi.org/10.1002/admi.202400784 |
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