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    Title: 為何只有碳元素形成石墨結構
    Other Titles: Why only carbon form graphite structure
    Authors: 烏勖晟;Wu, Shu-Cheng
    Contributors: 淡江大學物理學系碩士班
    李明憲;Lee, Ming-Hsien
    Keywords: 石墨結構;聲子;密度泛函理論;graphite;Layer;phonon;DFT
    Date: 2013
    Issue Date: 2014-01-23 13:43:51 (UTC+8)
    Abstract: 石墨是碳元素在自然界中(常溫常壓下)所具有的最穩定結構。它不同於鑽石,有趣的鍵結方式也表現在其化學與物理特性上。使用近年發展出的 DFT-D 修正,對石墨結構略加改造後,我們進行了一系列的聲子計算,分析形成石墨結構的各種可能條件。由此工作獲得的經驗,相信對於往後碳元素相關材料在結構及物性的分析,或新材料設計方面將有助益。
    Graphite structure is the most stable allotrope of carbon in normal temperature and pressure. The special layer by layer structure make it so different from diamond on many chemical and physical properties. Benefit by DFT-d correction, we investigate the details of graphite-like systems by performing phonon calculations. The results of this research improve our understanding about graphitic materials.
    Appears in Collections:[物理學系暨研究所] 學位論文

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