Alkali metal decorated carbon ring based molecular materials with boron and nitrogen substitution for hydrogen storage: A computational study
碩士 === 中原大學 === 化學研究所 === 102 === We report a computational study on hydrogen storage media consisting of alkali-metal (Li, Na, K, Li+, Na+, K+) atom and aromatic carbon ring based (benzene, coronene) molecular materials. We use two major and reliable computational method: B3LYP/6-311++g(2d,2p) &...
| Main Authors: | , |
|---|---|
| Other Authors: | |
| Format: | Others |
| Language: | zh-TW |
| Published: |
2014
|
| Online Access: | http://ndltd.ncl.edu.tw/handle/95575851289792733561 |