Theoretical investigation of the partial substituent effect of the energy gap of silicon clusters
碩士 === 淡江大學 === 化學學系碩士班 === 96 === For the investigation of the optical properties of Si nanoclusters as a function of surface passivation, we carried out a B3LYP/SIESTA calculation in the Si35 core clusters with different full passivated and partial passivated effect for the Td symmetry. We add F-t...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Others |
| Language: | zh-TW |
| Published: |
2008
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| Online Access: | http://ndltd.ncl.edu.tw/handle/97064086198534478162 |