Author:
Zhao Yin-Chang ,Dai Zhen-Hong ,Sui Peng-Fei ,Zhang Xiao-Ling ,
Abstract
First principle calculations predicted that Li atoms can be uniformly adsorbed on both sides of BC3 sheet without clustering. After the coverage of adsorbed Li atoms approaches 33.3%, Li+BC3 complex attains a largest hydrogen storage ability of 12.57 wt.%. Thermodynamic analysis confirms that at room temperature (300 K) and pressure in the range of 115–250 atm, Li+BC3 complex can have the hydrogen storage capacity mentioned above. These values satisfy not only the DOE (U.S.) requirement but also the security needs in application.
Publisher
Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences
Subject
General Physics and Astronomy
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