Nature Communications (Nov 2021)
Spontaneous dynamical disordering of borophenes in MgB2 and related metal borides
- 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
Affiliations
- Sichi Li
- Materials Science Division, Lawrence Livermore National Laboratory
- Harini Gunda
- Sandia National Laboratories
- Keith G. Ray
- Materials Science Division, Lawrence Livermore National Laboratory
- Chun-Shang Wong
- Sandia National Laboratories
- Penghao Xiao
- Materials Science Division, Lawrence Livermore National Laboratory
- Raymond W. Friddle
- Sandia National Laboratories
- Yi-Sheng Liu
- Advanced Light Source, Lawrence Berkeley National Laboratory
- ShinYoung Kang
- Materials Science Division, Lawrence Livermore National Laboratory
- Chaochao Dun
- Molecular Foundry, Lawrence Berkeley National Laboratory
- Joshua D. Sugar
- Sandia National Laboratories
- Robert D. Kolasinski
- Sandia National Laboratories
- Liwen F. Wan
- Materials Science Division, Lawrence Livermore National Laboratory
- Alexander A. Baker
- Materials Science Division, Lawrence Livermore National Laboratory
- Jonathan R. I. Lee
- Materials Science Division, Lawrence Livermore National Laboratory
- Jeffrey J. Urban
- Molecular Foundry, Lawrence Berkeley National Laboratory
- Kabeer Jasuja
- Department of Chemical Engineering, Indian Institute of Technology
- Mark D. Allendorf
- Sandia National Laboratories
- Vitalie Stavila
- Sandia National Laboratories
- Brandon C. Wood
- Materials Science Division, Lawrence Livermore National Laboratory
- DOI
- https://doi.org/10.1038/s41467-021-26512-4
- Journal volume & issue
-
Vol. 12,
no. 1
pp. 1 – 12
Abstract
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.
