Spontaneous dynamical disordering of borophenes in MgB2 and related metal borides
oleh: 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
| Format: | Article |
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| Diterbitkan: | Nature Portfolio 2021-11-01 |
Deskripsi
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.