4.7 Article

The impacts of nitrogen doping on the electrochemical hydrogen storage in a carbon

Journal

INTERNATIONAL JOURNAL OF ENERGY RESEARCH
Volume 45, Issue 6, Pages 9326-9339

Publisher

WILEY
DOI: 10.1002/er.6463

Keywords

DFT calculation; electrochemical hydrogen storage; nitrogen doping; nitrogen functional group

Funding

  1. Fundamental Research Funds for the Central Universities [WUT: 2019-IB-003, WUT: 2019-IB-004, WUT:2018-IB-022]
  2. National Natural Science Foundation of China [11474226, 21401145, 51676143]

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Nitrogen-doped activated carbon materials show excellent hydrogen storage performance, with high hydrogen storage capacity and retention rate. The main nitrogen functional groups include pyrrole N, pyridine N oxide, and nitro N.
Activated carbon materials doped with different nitrogen contents and nitrogen functional groups were synthesized. Nitrogen doping can improve the electrochemical hydrogen storage activity as well as the hydrophilicity of the carbon materials. Synthesized with the optimal synthesis conditions, the N-doped activate carbon demonstrated the hydrogen storage capacity of 148.4 mAh g(-1) under 100 mA g(-1) rate, and 84.3% capacity retention at a high current density of 1000 mA g(-1). 73.4% hydrogen could be preserved after a 24 hours rest at open potential. The main nitrogen functional groups on this carbon material were found to be pyrrole N, pyridine N oxide and nitro N. The density functional theory (DFT) calculations revealed that the H adsorption energy on pyridine N and pyrrole N was larger than that of pyridine N, while graphite N had no advantage in improving the H adsorption energy of carbon materials.

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