Taiga Goto¹, Shin-ichi Ito^2,3, Satish Laxman Shinde³, Ryota Ishibiki¹, Yasuyuki Hikita⁴, Iwao Matsuda⁵, Ikutaro Hamada^6*, Hideo Hosono^2,7, Takahiro Kondo^2,3

1 Graduate School of Pure and Applied Sciences, University of Tsukuba, 1-1-1, Tennodai, Tsukuba 305-8573, Japan

2 Materials Research Center for Element Strategy, Tokyo Institute of Technology, Yokohama 226-8503, Japan

3 Department of Materials Science and Tsukuba Research Center for Energy Materials Science, Faculty of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8573, Japan

4 Advanced Research and Innovation Center, DENSO CORPORATION, Nisshin, Aichi 470-0111, Japan

5 Institute for Solid State Physics (ISSP), The University of Tokyo, Kashiwa, Chiba 277-8581, Japan

6 Department of Precision Engineering, Graduate School of Engineering, Osaka University, 2-1 Yamada-oka, Suita, Osaka 565-0871, Japan

7 International Center for Materials Nanoarchitectonics, National Institute for Materials Science, Tsukuba 305-0044, Japan

* Corresponding authors emails: ihamada@prec.eng.osaka-u.ac.jp

DOI10.24435/materialscloud:fw-66 [version v1]

Publication date: Sep 12, 2022

How to cite this record

Taiga Goto, Shin-ichi Ito, Satish Laxman Shinde, Ryota Ishibiki, Yasuyuki Hikita, Iwao Matsuda, Ikutaro Hamada, Hideo Hosono, Takahiro Kondo, Carbon dioxide adsorption and conversion to methane and ethane on hydrogen boride sheets, Materials Cloud Archive 2022.112 (2022), doi: 10.24435/materialscloud:fw-66.

Description

Hydrogen boride (HB) sheets are metal-free two-dimensional materials comprising boron and hydrogen in a 1:1 stoichiometric ratio. In spite of the several advancements, the fundamental interactions between HB sheets and discrete molecules remain unclear. Here, we report the adsorption of CO₂ and its conversion to CH₄ and C₂H₆ using hydrogen-deficient HB sheets. Although fresh HB sheets did not adsorb CO₂, hydrogen-deficient HB sheets reproducibly physisorbed CO₂ at 297 K. The adsorption followed the Langmuir model with a saturation coverage of 2.4 × 10⁻⁴ mol g⁻¹ and a heat of adsorption of approximately 20 kJ mol⁻¹, which was supported by density functional theory calculations. When heated in a CO₂ atmosphere, hydrogen-deficient HB began reacting with CO₂ at 423 K. The detection of CH₄ and C₂H₆ as CO₂ reaction products in a moist atmosphere indicated that hydrogen-deficient HB promotes C–C coupling and CO₂ conversion reactions. Our findings highlight the application potential of HB sheets as catalysts for CO₂ conversion.

Materials Cloud sections using this data

Files

File name	Size	Description
README.txt MD5md5:5fad05b43cc419662ceb2d9c847d40eb	4.0 KiB	README file describing detailed information about files included in data.tgz
data.tgz MD5md5:2445850a0f22b857e5ef994b5e51bcaf	67.2 MiB	Archive file containing raw input and output files and data of density functional theory calculations.

License

Files and data are licensed under the terms of the following license: Creative Commons Attribution 4.0 International.
Metadata, except for email addresses, are licensed under the Creative Commons Attribution Share-Alike 4.0 International license.

External references

Keywords

hydrogen boride two-dimensional density functional theory carbon dioxide methane ethane CO2 conversion