Journal
JOURNAL OF APPLIED PHYSICS
Volume 114, Issue 12, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.4823738
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Funding
- National Natural Science Foundation of China [11274089, 11304076]
- Natural Science Foundation of Hebei Province [A2012205066, A2012205069]
- National High Technology Research and Development Program of China [2009AA034101]
- National Science Fund for Distinguished Young Scholar [60925016]
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The hydrogen storage capacities of K-decorated silicene and silicane are studied using first-principles calculations. It is found that K atoms can form a uniform and stable coverage on one side of silicene and both sides of silicane. Each K atom can absorb a maximum of five H-2 molecules and the hydrogen storage capacity of K-decorated silicane can reach 6.13wt. % with an average adsorption energy of 0.133 eV/H-2. This hydrogen storage capacity is in excess of 6wt. %, the U. S. Department of Energy target. This is a remarkable result indicating another application of silicene/silicane as a potential high-capacity storage medium. (C) 2013 AIP Publishing LLC.
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