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Carbon dioxide adsorption and conversion to methane and ethane on hydrogen boride sheets

Taiga Goto1, Shin-ichi Ito2,3, Satish Laxman Shinde3, Ryota Ishibiki1, Yasuyuki Hikita4, Iwao Matsuda5, Ikutaro Hamada6*, Hideo Hosono2,7, Takahiro Kondo2,3

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.


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.

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67.2 MiB Archive file containing raw input and output files and data of density functional theory calculations.


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External references

Journal reference
T. Goto, S. Ito, S. L. Shinde, R. Ishibiki, Y. Hikita, I. Matsuda, I. Hamada, H. Hosono, T. Kondo, Carbon dioxide adsorption and conversion to methane and ethane on hydrogen boride sheets, Commun. Chem. (accepted)


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

Version history:

2022.112 (version v1) [This version] Sep 12, 2022 DOI10.24435/materialscloud:fw-66