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[ Last edited by 168yjh on 2008-12-23 at 15:43 ]

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×îºóÒ»¾äÓ¢ÎÄÏàÓ¦¸ÄΪThis indicates that the structure of 5-1DB-P is more compact than that of 5-1DB-T, and its mechanical property is more stable, and the energy level of 5-1DB-P should be lower than that of 5-1DB-T, which accords with the results shown in Fig.3.

[ Last edited by dafengbaiju on 2008-12-25 at 16:28 ]
4Â¥2008-12-25 16:25:56
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dafengbaiju

̼ÄÉÃ×¹ÜȱÏÝÄܼ¶£¨´ø£©Á¿×Ó»¯µ¼ÖÂÊÆÀÝÁ¿×Ó»¯¡£¹¹³ÉÐü¹Ò¼üµÄÍâ²ãµç×ÓÖ»ÓÐÎüÊÕ·ÇÁ¬ÐøµÄÌØ¶¨ÄÜÁ¿Ô¾Ç¨³ÉÏà¶Ô×ÔÓÉ״̬²Å¿ÉÄܱ˴˳ɼü£¬¼´´¦ÓÚ3DB״̬µÄCÔ­×ÓÎüÊÕ×ã¹»ÄÜÁ¿¿Ë·þÊÆÀݲÅÄÜʵÏÖÖØ¹¹¡£ÁíÍ⣬ÔÚ×ÔÓÉ3DB״̬µ½5-1DB-P»ò5-1DB-T״̬֮¼ä´æÔÚÁ½Ìײ»Í¬µÄ·ÇÁ¬ÐøÊÆÀÝ(Èçͼ4Ëùʾ)¡£Ö»Óе±¹©¸øµÄÄÜÁ¿Âú×ãijÌ×ÊÆÀÝËùÐèÄÜÁ¿ÖµÊ±£¬²ÅÄÜÐγÉÏàÓ¦µÄ¸ÃÌ×ÖØ¹¹½á¹¹¡£Í¼5ÊÇÔÚ(9, 0)̼ÄÉÃ×¹ÜÖе¥¿Õλ½á¹¹ÓÅ»¯ºóÐü¹Ò¼üÔ­×Ó¼ä¾àµÄ±ä»¯Çé¿ö¡£´ÓFigure 5¿ÉÇå³þ¿´³ö£¬5-1DB-P½á¹¹µÄÐγɵ¼ÖÂÐü¹Ò¼üÔ­×Ó¼äµÄ¾àÀë¾ù±»À­½ü£¬ÆäÖУ¬C1-C2±»½Ï´ó·ù¶ÈÀ­½ü³É¼ü¡£¶ø5-1DB-Tµ¼ÖÂÒ»¸ö±»À­½ü³É¼ü£¬Ò»¸öÔ¶À룬һ¸ö²»±ä£¬ÇÒ5-1DB-TÖб»À­½üºóµÄC1-C3¼ä¾àÈÔ´óÓÚ5-1DB-P ÖÐC1-C2¡£Õâ˵Ã÷5-1DB-P½á¹¹Ïà¶Ô5-1DB-T½á¹¹¸ü¼Ó½ô´Õ£¬Á¦Ñ§ÐÔÄܸüÇ÷Îȶ¨£¬5-1DB-P±È5-1DB-PÄܼ¶Ó¦¸Ã¸üµÍ£¬ÕâºÍÇ°ÃæÍ¼3ÏÔʾ½á¹ûÍêÈ«ÎǺϡ£

The quantization of carbon nano-tube defect energy level (band) causes the quantization of potential barrier. Only when the outer electrons forming dangling bonds absorb noncontiguous specific energy and transit into relative free status, can they bond with each other, that is, only when C atom in 3DB status takes in enough energy and conquers potential barrier can it realize reconstruction. In addition, between free 3DB status and 5-1DB-P or 5-1DB-T status, there are two sets of different noncontiguous potential barrier (shown in Fig.4). Only when the supplied energy meets the required energy value of certain set of potential barrier, can the corresponding reconstruction of this set be formed. Fig. 5 shows the change of interatomic distance of dangling bond after single vacancy structure is optimized in (9, 0) carbon nano-tube. From Fig. 5 it can be clearly seen that, the form of 5-1DB-P structure causes the interatomic distance of dangling bond to be drawn nearer. Among them, C1-C2 is drawn nearer to form bonding to a fairly large degree, while 5-1DB-T causes one to be drawn nearer to form bonding, the other to be drawn far away, and another stays unchanged.Moreover, after 5-1DB-T is drawn nearer, the space between C1and C3 is still bigger than the space between C1and C2 in 5-1DB-P. This indicates that the structure of 5-1DB-P is more compact than that of 5-1DB-T, and its mechanical property is more stable, and the energy level of 5-1DB-P should be lower than that of 5-1DB-P, which accords with the results shown in Fig.3.

[ Last edited by dafengbaiju on 2008-12-25 at 16:20 ]
2Â¥2008-12-25 16:15:02
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