Al doped graphene : A promising material for hydrogen storage at room temperature

By Z. Ao, Q. Jiang, Rui Zhang, T. Tan, S. Li. 2008

222 citations recorded by the source corpus.

A promising material for hydrogen storage at room temperature–Al doped graphene is proposed theoretically by using density functional theory calculation. Hydrogen storage capacity of 5.13 wt % is predicted at T=300 K and P=0.1 GPa with an adsorption energy Eb=−0.260 eV/H2. This is close to the target specified by U.S. Department of Energy with a storage capacity of 6 wt % and a binding energy of −0.2 to −0.4 eV/H2 at ambient temperature and modest pressure for commercial applications. It is believed that the doped Al alters the electronic structures of both C and H2. The bands of H2 overlapping with those of Al and C simultaneously are the underlying mechanism of hydrogen storage capacity enhancement.

Subfields: Electrical and Electronic Engineering, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/2c700612bbb93f87bc6541cae02f3f2342c907d9

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In Electrical and Electronic Engineering

  1. V. Jai̇n
  2. B. Kandasubramanian

In Materials Chemistry

  1. V. Jai̇n
  2. B. Kandasubramanian

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