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  • 02월 23일 15시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

The Application of Excess Electron in Hydrogen Storage

2009년 2월 12일 15시 22분 17초
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금 <발표Ⅳ>
저자 및
Shihai Yan, 이진용
성균관대학교 화학과, Korea
Hydrogen has been targeted as an appealing alternative to substitute the diminishing fossil fuel since it is a potentially clean and environmentally friendly energy source. One of the remaining challenges is to find an efficient and economic hydrogen storage media. The anionic LiAlH4 (LAH) clusters, dimer and trimer, are explored with a special emphasis on hydrogen storage capacity. The Li+…e interaction is significant for the anionic clusters with excess electron. The anionic clusters (ACs) bearing solvated electron are more efficient to improve the hydrogen storage capacity than the ACs with dipole-bound state electron. When the hydrogen is stored, the system shrinks owing to the large coupling between the central hydrides and Li+. The higher stabilization energy, stronger hydrogen bonding energy, and larger vertical detachment energy demonstrate that the systems are stabilized upon hydrogen storage. The size influence on hydrogen storage capacity is significant. The coupling mode of Li+ with AlH4- group also has influence on the hydrogen storage capacity. Although our discussions are based on the theoretical results for the anionic LAH clusters as the prototype model, the similar phenomenon should also be observed for other ternary metal hydrides by extrapolation. This study would be helpful for the design of novel efficient storage materials with higher hydrogen capacity.