Computational Sstudy for the Adsorption of Lithium, Sodium and Potassium Atoms on the Diatomic, Triatomic and Tetratomic Silicon Clusters
碩士 === 中國文化大學 === 應用化學研究所 === 96 === In this thesis we report the optimized structures of lithium, sodium and potassium atoms adsorbed on the Si2, Si3 and Si4 clusters. Computations were run with the Gaussian 03 software at the B3LYP level with basis function 6-311 + + G(3df). The results show that...
| Main Authors: | , |
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| Format: | Others |
| Language: | zh-TW |
| Published: |
2008
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| Online Access: | http://ndltd.ncl.edu.tw/handle/59021737293529815608 |