Ti-doped nano-porous graphene: A material for hydrogen storage and sensor

doi:10.1007/s11467-011-0178-z

Frontiers of Physics

0, Vol.

Issue (): 204-208 https://doi.org/10.1007/s11467-011-0178-z

RESEARCH ARTICLE

本期目录

Ti-doped nano-porous graphene: A material for hydrogen storage and sensor

Sa LI¹(

), Hong-min ZHAO², Puru JENA¹

1. Department of Physics, Virginia Commonwealth University, Richmond, VA 23284, USA; 2. Department of Physics, School of Science, Beijing Jiaotong University, Beijing 100044, China

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Abstract：

Clustering of Ti on carbon nanostructures has proved to be an obstacle in their use as hydrogen storagematerials. Using density functional theory we show that Ti atoms will not cluster at moderate concentrations when doped into nanoporous graphene. Since each Ti atom can bind up to three hydrogen molecules with an average binding energy of 0.54 eV/H₂, this material can be ideal for storing hydrogen under ambient thermodynamic conditions. In addition, nanoporous graphene is magnetic with or without Ti doping, but when it is fully saturated with hydrogen, the magnetism disappears. This novel feature suggests that nanoporous graphene cannot only be used for storing hydrogen, but also as a hydrogen sensor.

Key words： nano-porous graphene hydrogen storage hydrogen sensor

收稿日期: 2011-03-19 出版日期: 2011-06-05

Corresponding Author(s): LI Sa,Email:sli2@vcu.edu

引用本文:

. Ti-doped nano-porous graphene: A material for hydrogen storage and sensor[J]. Frontiers of Physics, 0, (): 204-208.
Sa LI, Hong-min ZHAO, Puru JENA. Ti-doped nano-porous graphene: A material for hydrogen storage and sensor. Front. Phys. , 0, (): 204-208.

链接本文:

https://academic.hep.com.cn/fop/CN/10.1007/s11467-011-0178-z
https://academic.hep.com.cn/fop/CN/Y0/V/I/204

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