Effective metal dispersion in pyridinelike nitrogen doped graphenes for hydrogen storage

被引：69

作者：

Kim, Gyubong ^{[1
]}

Jhi, Seung-Hoon ^{[1
]}

Park, Noejung ^{[2
]}

机构：

[1] Pohang Univ Sci & Technol, Dept Phys, Pohang 790784, South Korea

[2] Dankook Univ, Dept Appl Phys, Seoul 140714, South Korea

来源：

APPLIED PHYSICS LETTERS | 2008年 / 92卷 / 01期

关键词：

D O I：

10.1063/1.2828976

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We study the pyridinelike nitrogen-doped graphene (PNG) with dispersed transition metal (TM) atoms as a potential hydrogen storage medium using the pseudopotential density functional method. It is found that highly localized states near the Fermi level, which are derived from the nitrogen defects, contribute to strong TM bindings and favorable hydrogen adsorption in the PNG. The strong TM binding prevents the metal aggregation and improves the material stability. The hydrogen molecular binding energy in TM+PNG complex is shown to be optimistic for room temperature storage and release. (C) 2008 American Institute of Physics.

引用

页数：3

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