First-Principles Study on the Stability and STM Image of Borophene
Abstract Very recently, borophene (atomic-thin two-dimensional boron sheet) has been successfully synthesized on the Ag(111) surface by deposition. Two kinds of structures were found. However, the identification of the monolayer boron sheets grown on the metal substrate, as well as the stability of...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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SpringerOpen
2017-08-01
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| Series: | Nanoscale Research Letters |
| Subjects: | |
| Online Access: | http://link.springer.com/article/10.1186/s11671-017-2282-7 |
| _version_ | 1797757991779303424 |
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| author | Zhifen Luo Xiaoli Fan Yurong An |
| author_facet | Zhifen Luo Xiaoli Fan Yurong An |
| author_sort | Zhifen Luo |
| collection | DOAJ |
| description | Abstract Very recently, borophene (atomic-thin two-dimensional boron sheet) has been successfully synthesized on the Ag(111) surface by deposition. Two kinds of structures were found. However, the identification of the monolayer boron sheets grown on the metal substrate, as well as the stability of different 2D boron sheets, is controversial. By performing the first-principles calculations, present study investigates the atomic structure, stability, and electronic properties of the most possible boron sheets grown on metal surface, namely, buckled triangular, β12, and χ3 types of crystal lattice. Our result shows that all the three freestanding sheets are thermodynamically unstable and all are metallic. On the other hand, our result indicates the Ag(111) substrate stabilize these sheets. Additionally, our simulated STM images of these monoatomic-thin boron sheets on Ag(111) surface reproduce the experiment observations well and clearly identify the as-grown boron sheets. |
| first_indexed | 2024-03-12T18:23:31Z |
| format | Article |
| id | doaj.art-d82f4fad93d44ac9bdc6796eb9dfae6b |
| institution | Directory Open Access Journal |
| issn | 1931-7573 1556-276X |
| language | English |
| last_indexed | 2024-03-12T18:23:31Z |
| publishDate | 2017-08-01 |
| publisher | SpringerOpen |
| record_format | Article |
| series | Nanoscale Research Letters |
| spelling | doaj.art-d82f4fad93d44ac9bdc6796eb9dfae6b2023-08-02T08:42:56ZengSpringerOpenNanoscale Research Letters1931-75731556-276X2017-08-011211810.1186/s11671-017-2282-7First-Principles Study on the Stability and STM Image of BoropheneZhifen Luo0Xiaoli Fan1Yurong An2State Key Laboratory of Solidification Processing, School of Material Science and Engineering, Northwestern Polytechnical UniversityState Key Laboratory of Solidification Processing, School of Material Science and Engineering, Northwestern Polytechnical UniversityState Key Laboratory of Solidification Processing, School of Material Science and Engineering, Northwestern Polytechnical UniversityAbstract Very recently, borophene (atomic-thin two-dimensional boron sheet) has been successfully synthesized on the Ag(111) surface by deposition. Two kinds of structures were found. However, the identification of the monolayer boron sheets grown on the metal substrate, as well as the stability of different 2D boron sheets, is controversial. By performing the first-principles calculations, present study investigates the atomic structure, stability, and electronic properties of the most possible boron sheets grown on metal surface, namely, buckled triangular, β12, and χ3 types of crystal lattice. Our result shows that all the three freestanding sheets are thermodynamically unstable and all are metallic. On the other hand, our result indicates the Ag(111) substrate stabilize these sheets. Additionally, our simulated STM images of these monoatomic-thin boron sheets on Ag(111) surface reproduce the experiment observations well and clearly identify the as-grown boron sheets.http://link.springer.com/article/10.1186/s11671-017-2282-7Atomic-thin boron sheetFirst-principles calculationsAtomic structureStabilitySTM image |
| spellingShingle | Zhifen Luo Xiaoli Fan Yurong An First-Principles Study on the Stability and STM Image of Borophene Nanoscale Research Letters Atomic-thin boron sheet First-principles calculations Atomic structure Stability STM image |
| title | First-Principles Study on the Stability and STM Image of Borophene |
| title_full | First-Principles Study on the Stability and STM Image of Borophene |
| title_fullStr | First-Principles Study on the Stability and STM Image of Borophene |
| title_full_unstemmed | First-Principles Study on the Stability and STM Image of Borophene |
| title_short | First-Principles Study on the Stability and STM Image of Borophene |
| title_sort | first principles study on the stability and stm image of borophene |
| topic | Atomic-thin boron sheet First-principles calculations Atomic structure Stability STM image |
| url | http://link.springer.com/article/10.1186/s11671-017-2282-7 |
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