期刊
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
卷 163, 期 7, 页码 H566-H569出版社
ELECTROCHEMICAL SOC INC
DOI: 10.1149/2.1011607jes
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资金
- National Natural Science Foundation of China [51172178]
- Fundamental Research Funds for the Central University of China [xjj20100102]
In this work, a new mechanism is proposed to describe hydrogen storage using alpha-Fe2O3 particles as an anode material in an aqueous solution. According to this mechanism, the transfer of H+ in the Fe2O3 lattice plays an important role in the hydrogen storage process. This mechanism, which was based on a conventional theoretical description of the electrochemical reaction of Fe2O3 in an aqueous solution, also included the reaction of H+ in the interior of the Fe2O3 particles. The entrance and separation of H+ in the interior of the Fe2O3 particles were instrumental to the charge/discharge processes at the anode. The tetrahedral oxygen interspace in the Fe2O3 lattice was an optimum size for H+ transport. Charge/discharge cycling and X-ray diffraction experiments were also performed. Using a first-principle simulation, covalent bonding was found to be possible between H+ and O in the interior of a Fe2O3 particle, and the lowest energy location for this bonding was in the tetrahedral oxygen interspace. These findings provide a more comprehensive understanding of the electrochemical reactions between Fe2O3 and water. (C) 2016 The Electrochemical Society. All rights reserved.
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