High hydrogen-adsorption-rate material based on graphane decorated with alkali metals

Liubov Yu. Antipina, Pavel V. Avramov, Seiji Sakai, Hiroshi Naramoto, Manabu Ohtomo, Shiro Entani, Yoshihiro Matsumoto, and Pavel B. Sorokin
Phys. Rev. B 86, 085435 – Published 20 August 2012

Abstract

The graphane with chemically bonded alkali metals (Li, Na, K) was considered as potential material for hydrogen storage. The ab initio calculations show that such material can adsorb as many as four hydrogen molecules per Li, Na, and K metal atom. These values correspond to 12.20, 10.33, and 8.56 wt% of hydrogen, respectively, and exceed the DOE requirements. The thermodynamic analysis shows that Li-graphane complex is the most promising for hydrogen storage with ability to adsorb three hydrogen molecules per metal atom at 300 K and pressure in the range of 5–250 atm.

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  • Received 10 May 2012

DOI:https://doi.org/10.1103/PhysRevB.86.085435

©2012 American Physical Society

Authors & Affiliations

Liubov Yu. Antipina1, Pavel V. Avramov2, Seiji Sakai2, Hiroshi Naramoto2, Manabu Ohtomo2, Shiro Entani2, Yoshihiro Matsumoto2, and Pavel B. Sorokin1,3,*

  • 1Technological Institute of Superhard and Novel Carbon Materials, 7 a Centralnaya Street, Troitsk, Moscow region 142190, Russian Federation
  • 2Advanced Science Research Center, Japan Atomic Energy Agency, 2-4 Shirakata Shirane, Tokai-mura, Naka-gun, Ibaraki-ken 319-1195, Japan
  • 3Emanuel Institute of Biochemical Physics of RAS, 119334 Moscow, Russian Federation

  • *pbsorokin@gmail.com

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Issue

Vol. 86, Iss. 8 — 15 August 2012

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