Publication date: Jun 19, 2021
Hydrogen boride sheet is a recently fabricated boron-based two-dimensional nanosheet. For the interest of using it in electronic and catalytic applications, it is important that it has sufficient chemical stability for common substances. In this case, we investigate its chemical stability in water, a common substance in ambient condition and many applications. The study was done using experimental and first-principles method. This record contains the crystal structures, optimized via first-principles calculations that were used in discussing the various properties and interaction between water and hydrogen boride sheet. Additionally, input files used to calculate for the systems were included to aid in reproducing results of the study.
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File name | Size | Description |
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crystal_structure.zip
MD5md5:8b62bdcd278a214d449176d6a6e40945
|
51.0 KiB | Collection of crystal structures |
calculations.zip
MD5md5:831992eda9e980ca1f87e87b96af3f33
|
11.0 KiB | Collection of input files to reproduce results |
README.txt
MD5md5:2473a5150508be6fb666088253713378
|
2.7 KiB | Detailed information about the archive crystal_structure.zip and calculations.zip |
2021.87 (version v1) [This version] | Jun 19, 2021 | DOI10.24435/materialscloud:40-28 |