Spontaneous dynamical disordering of borophenes in MgB2 and related metal borides
Layered boron compounds attract enormous interest in applications. This work reports first-principles calculations coupled with global optimization to show that the outer boron surface in MgB2 nanosheets undergo disordering and clustering, which is experimentally confirmed in synthesized MgB2 nanosh...
| Main Authors: | , , , , , , , , , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2021-11-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-021-26512-4 |
| _version_ | 1818427896750931968 |
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| author | Sichi Li Harini Gunda Keith G. Ray Chun-Shang Wong Penghao Xiao Raymond W. Friddle Yi-Sheng Liu ShinYoung Kang Chaochao Dun Joshua D. Sugar Robert D. Kolasinski Liwen F. Wan Alexander A. Baker Jonathan R. I. Lee Jeffrey J. Urban Kabeer Jasuja Mark D. Allendorf Vitalie Stavila Brandon C. Wood |
| author_facet | Sichi Li Harini Gunda Keith G. Ray Chun-Shang Wong Penghao Xiao Raymond W. Friddle Yi-Sheng Liu ShinYoung Kang Chaochao Dun Joshua D. Sugar Robert D. Kolasinski Liwen F. Wan Alexander A. Baker Jonathan R. I. Lee Jeffrey J. Urban Kabeer Jasuja Mark D. Allendorf Vitalie Stavila Brandon C. Wood |
| author_sort | Sichi Li |
| collection | DOAJ |
| description | Layered boron compounds attract enormous interest in applications. This work reports first-principles calculations coupled with global optimization to show that the outer boron surface in MgB2 nanosheets undergo disordering and clustering, which is experimentally confirmed in synthesized MgB2 nanosheets. |
| first_indexed | 2024-12-14T14:53:01Z |
| format | Article |
| id | doaj.art-1a8178ad4db946b1ab09f65744a824b7 |
| institution | Directory Open Access Journal |
| issn | 2041-1723 |
| language | English |
| last_indexed | 2024-12-14T14:53:01Z |
| publishDate | 2021-11-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Nature Communications |
| spelling | doaj.art-1a8178ad4db946b1ab09f65744a824b72022-12-21T22:57:05ZengNature PortfolioNature Communications2041-17232021-11-0112111210.1038/s41467-021-26512-4Spontaneous dynamical disordering of borophenes in MgB2 and related metal boridesSichi Li0Harini Gunda1Keith G. Ray2Chun-Shang Wong3Penghao Xiao4Raymond W. Friddle5Yi-Sheng Liu6ShinYoung Kang7Chaochao Dun8Joshua D. Sugar9Robert D. Kolasinski10Liwen F. Wan11Alexander A. Baker12Jonathan R. I. Lee13Jeffrey J. Urban14Kabeer Jasuja15Mark D. Allendorf16Vitalie Stavila17Brandon C. Wood18Materials Science Division, Lawrence Livermore National LaboratorySandia National LaboratoriesMaterials Science Division, Lawrence Livermore National LaboratorySandia National LaboratoriesMaterials Science Division, Lawrence Livermore National LaboratorySandia National LaboratoriesAdvanced Light Source, Lawrence Berkeley National LaboratoryMaterials Science Division, Lawrence Livermore National LaboratoryMolecular Foundry, Lawrence Berkeley National LaboratorySandia National LaboratoriesSandia National LaboratoriesMaterials Science Division, Lawrence Livermore National LaboratoryMaterials Science Division, Lawrence Livermore National LaboratoryMaterials Science Division, Lawrence Livermore National LaboratoryMolecular Foundry, Lawrence Berkeley National LaboratoryDepartment of Chemical Engineering, Indian Institute of TechnologySandia National LaboratoriesSandia National LaboratoriesMaterials Science Division, Lawrence Livermore National LaboratoryLayered boron compounds attract enormous interest in applications. This work reports first-principles calculations coupled with global optimization to show that the outer boron surface in MgB2 nanosheets undergo disordering and clustering, which is experimentally confirmed in synthesized MgB2 nanosheets.https://doi.org/10.1038/s41467-021-26512-4 |
| spellingShingle | Sichi Li Harini Gunda Keith G. Ray Chun-Shang Wong Penghao Xiao Raymond W. Friddle Yi-Sheng Liu ShinYoung Kang Chaochao Dun Joshua D. Sugar Robert D. Kolasinski Liwen F. Wan Alexander A. Baker Jonathan R. I. Lee Jeffrey J. Urban Kabeer Jasuja Mark D. Allendorf Vitalie Stavila Brandon C. Wood Spontaneous dynamical disordering of borophenes in MgB2 and related metal borides Nature Communications |
| title | Spontaneous dynamical disordering of borophenes in MgB2 and related metal borides |
| title_full | Spontaneous dynamical disordering of borophenes in MgB2 and related metal borides |
| title_fullStr | Spontaneous dynamical disordering of borophenes in MgB2 and related metal borides |
| title_full_unstemmed | Spontaneous dynamical disordering of borophenes in MgB2 and related metal borides |
| title_short | Spontaneous dynamical disordering of borophenes in MgB2 and related metal borides |
| title_sort | spontaneous dynamical disordering of borophenes in mgb2 and related metal borides |
| url | https://doi.org/10.1038/s41467-021-26512-4 |
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