Photoinduced hydrogen release from hydrogen boride sheets

Reiya Kawamura, Nguyen Thanh Cuong, Takeshi Fujita, Ryota Ishibiki, Toru Hirabayashi, Akira Yamaguchi, Iwao Matsuda, Susumu Okada, Takahiro Kondo () and Masahiro Miyauchi ()
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Reiya Kawamura: Tokyo Institute of Technology
Nguyen Thanh Cuong: University of Tsukuba
Takeshi Fujita: Kochi University of Technology
Ryota Ishibiki: University of Tsukuba
Toru Hirabayashi: Tokyo Institute of Technology
Akira Yamaguchi: Tokyo Institute of Technology
Iwao Matsuda: University of Tokyo
Susumu Okada: University of Tsukuba
Takahiro Kondo: University of Tsukuba
Masahiro Miyauchi: Tokyo Institute of Technology

Nature Communications, 2019, vol. 10, issue 1, 1-8

Abstract: Abstract Hydrogen boride nanosheets (HB sheets) are facilely synthesized via ion-exchange treatment on magnesium diboride (MgB2) in an acetonitrile solution. Optical absorption and fluorescence spectra of HB sheets indicate that their bandgap energy is 2.8 eV. According to first-principles calculations, optical absorption seen at 2.8 eV is assigned to the electron transition between the σ-bonding states of B and H orbitals. In addition, density functional theory (DFT) calculations suggest the other allowed transition from the σ-bonding state of B and H orbitals to the antibonding state with the gap of 3.8 eV. Significant gaseous H2 release is found to occur only under photoirradiation, which causes the electron transition from the σ-bonding state to the antibonding state even under mild ambient conditions. The amount of H2 released from the irradiated HB sheets is estimated to be 8 wt%, indicating that the sheets have a high H2-storage capacity compared with previously reported metal H2-storage materials.

Date: 2019
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DOI: 10.1038/s41467-019-12903-1

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