Kurt Irvin Rojas1,2,
Nguyen Thanh Cuong3,
Nelson Jr., Arboleda1,9,
1 Physics Department, College of Science, De La Salle University, Manila 1004, Philippines.
2 Department of Precision Engineering, Graduate School of Engineering, Osaka University, 2-1 Yamada-oka, Suita, Osaka 565-0871, Japan.
3 Faculty of Pure and Applied Sciences and Tsukuba Research Center for Energy Materials Science (TREMS), University of Tsukuba, Tsukuba, Ibaraki, 305-8573, Japan.
4 Graduate school of Pure and Applied Sciences, University of Tsukuba, Tsukuba, Ibaraki, 305-8573, Japan.
5 Materials Research Center for Element Strategy, Tokyo Institute of Technology, Yokohama 226-8503, Japan.
6 Department of Materials Science and Engineering, School of Materials and Chemical Technology, Tokyo Institute of Technology, 2-12-1, Ookayama, Meguro-ku, Tokyo 152-8552, Japan.
7 Department of Physics, Tokyo Institute of Technology, Tokyo 152-8551, Japan.
8 International Center for Materials Nanoarchitectonics, National Institute for Materials Science, Tsukuba, Ibaraki 305-0044, Japan.
9 Advance Nanomaterials Investigations by Molecular Simulations (ANIMoS) Research Unit, Center for Natural Sciences and Environmental Research (CENSER), De La Salle University, Manila 1004, Philippines.
10 Element Strategy Initiative for Catalyst and Batteries, Kyoto University, Goryo-Ohara, Nishikyo-ku, Kyoto 615-8245, Japan.
11 Research Center for Precision Engineering, Graduate School of Engineering, Osaka University, 2-1 Yama-da-Oka, Suita, Osaka 565-0871, Japan.
* Corresponding authors emails:
How to cite this record
Kurt Irvin Rojas,
Nguyen Thanh Cuong,
Nelson Jr., Arboleda,
Chemical stability of hydrogen boride nanosheets in water
, Materials Cloud Archive
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.
Materials Cloud sections using this data
No Explore or Discover sections associated with this archive record.
||Collection of crystal structures
||Collection of input files to reproduce results
||Detailed information about the archive crystal_structure.zip and calculations.zip
Journal reference (Paper in which the data is discussed.)
K. I. M. Rojas, N. T. Cuong, H. Nishino, R. Ishibiki, S.-I. Ito, M. Miyauchi, Y. Fujimoto, S. Tominaka, S. Okada, H. Hosono, N. B. Arboleda Jr., T. Kondo, Y. Morikawa, I. Hamada, Commun Mater 2, 81 (2021)