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 |