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Çë°ïæÊÖ¹¤·Ò룡л¾øÈí¼þÀࣨ»òÍøÉϹ¤¾ß£©·Ò룡£¡£¡ As semiconductors with a one-dimensional nanostructure have many potential applications in nanoelectronic and microelectronic devices, systematic and in-depth investigations of semiconductor nanowires with various free-space structures have been carried out and many significant results obtained.6-11 However, research on semiconductor nanowires formed inside nanotubes is rarely reported.12,13 Due to the effects of size and surface reconstruction, semiconductor nanowires in free space display significantly different behavior from the bulk material, including quantum confinement effects and single electron transport effects. However, they are also subject to oxidization, which changes their behavior. As the copper atoms tend to undergo sp3 hybridization and form covalent bonds, pure semiconductor nanowires in free space are instable, especially when they have small diameters. Coating the CuNWs with a layer of inert atoms, such as a constitutionally stable nanotube with anti-oxidation properties, can effectively prevent the oxidation of CuNWs and inhibit sp3 hybridization of the copper atoms and the formation of covalent bonds, thus making the CuNWs more stable. The composite structure may also have better physical properties, and could have important applications in micro-nanoelectronics. CNTs begin to oxidize at about 400¡æ,14-16 which restricts their technological application at high temperatures. The structure of boron-nitride nanotubes (BNNT) is very similar to that of CNTs, and they exhibit many similar physical and chemical properties.14,17,18 However, compared with CNTs, BNNTs have better mechanical properties at high temperatures, thermal stability, and oxidation resistance.19 BNNTs shells thus provide an effective barrier against oxidation. Thus, the oxidation degradation of CuNWs could be reduced by coating them with BNNTs and their long-term stability improved. BNNTs are of potential use in nanoscale electronic devices and nanostructure ceramic materials due to their stability at high temperatures and high electronic insulation in air.20¨C25 Hence, CuNW@BNNTs are also likely to have significant advantages in a range of technological applications. The similar monoatom chain-filled nanotubes have already been founded and studied for CNTs. Wang et al. calculated the buckling strain of CNTs filled with metal atoms (Ni, Cu and Pt) and found that as in the case of gases, critical strain of the filled CNT is also larger than that of the hollow CNT.26 More recently, Soldano and Mariscal studied the effect of the enclosed Fe, with structure of fcc or bcc, on mechanical properties of CNTs using a recent parameterization of the modified embedded atom model.27 It was reported that AuNWs will form helical structures when Au atoms are confined in CNTs.2,28 which is totally different from its bulk counterpart. The formation of helical AuNWs inside CNTs implies such structured AuNW@CNTs composites may possess novel mechanical properties that are different from those of gas or fullerene-filled CNTs. The research reported in this paper focuses on coaxial CuNW@BN(5,5) and CuNW@C(5,5) nanotubes. These structures are formed by optimizing BN(5,5) and BN(0,10) nanotubes filled with a certain number of copper atoms. The structural properties of the tubes are analyzed from radial distribution function (RDF) data and the deformation electron density. The compressive properties of the nanotubes are also investigated by comparing and analyzing the deformation and system energy of the optimized structures under different axial compressive strains. |
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wdxyjh(½ð±Ò+5, ·ÒëEPI+1): 2010-12-31 14:51:05
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As semiconductors with a one-dimensional nanostructure have many potential applications in nanoelectronic and microelectronic devices, systematic and in-depth investigations of semiconductor nanowires with various free-space structures have been carried out and many significant results obtained. ÓÉÓÚһάÄÉÃ׽ṹµÄ°ëµ¼ÌåÔÚ΢ÄÉÆ÷¼þÖÐÓкܶàDZÔÚµÄÓ¦Óã¬ÎÒÃÇϵͳÉîÈëµØÑо¿Á˶àÖÖ×ÔÓɿռä½á¹¹µÄ°ëµ¼ÌåÄÉÃ×Ïߣ¬²¢È¡µÃÁ˱ȽÏÖØ´óµÄ³É¹û¡£ |
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wdxyjh(½ð±Ò+5): 2010-12-31 14:51:19
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However, research on semiconductor nanowires formed inside nanotubes is rarely reported.12,13 Due to the effects of size and surface reconstruction, semiconductor nanowires in free space display significantly different behavior from the bulk material, including quantum confinement effects and single electron transport effects. ¿ÉÊÇ£¬ÔÚÄÉÃ×¹ÜÀïÐγɵİ뵼ÌåÄÉÃ×ÏߺÜÉÙÓб¨µÀ¡£ÓÉÓڳߴçЧӦºÍ±íÃæÖØ¹¹£¬°ëµ¼ÌåÄÉÃ×ÏßÔÚ×ÔÓɿռäÏÔʾÓë¿éÌå²ÄÁϺܴó²»Í¬µÄÐÔÄÜ£¬°üÀ¨Á¿×ÓÏÞÓòЧӦºÍµ¥µç×Ó´«ÊäЧӦ¡£ |
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However, they are also subject to oxidization, which changes their behavior. As the copper atoms tend to undergo sp3 hybridization and form covalent bonds, pure semiconductor nanowires in free space are instable, especially when they have small diameters. Coating the CuNWs with a layer of inert atoms, such as a constitutionally stable nanotube with anti-oxidation properties, can effectively prevent the oxidation of CuNWs and inhibit sp3 hybridization of the copper atoms and the formation of covalent bonds, thus making the CuNWs more stable. The composite structure may also have better physical properties, and could have important applications in micro-nanoelectronics. È»¶ø£¬ËûÃÇÒ²»á±»Ñõ»¯£¬´Ó¶ø¸Ä±äËûÃǵÄÐÔÖÊ¡£ÓÉÓÚÍÔ×ÓÇ÷ÓÚsp3ÔÓ»¯£¬Ðγɹ²¼Û¼ü£¬ÔÚ×ÔÓɿռäµÄ´¿°ëµ¼ÌåÄÉÃ×ÏßÊDz»Îȶ¨µÄ£¬ÓÈÆäÊǵ±ËûÃdzߴç±È½ÏСʱ¡£Èç¹ûÔÚÍÄÉÃ×ÏßÍâ°ü¸²Ò»²ã¶èÐÔÔ×Ó£¬ÀýÈç³ÖÐøÎȶ¨µÄ¿¹Ñõ»¯ÐÔµÄÄÉÃ׹ܣ¬ÄÇô¾ÍÄÜÓÐЧ·ÀÖ¹ÍÄÉÃ×ÏßÑõ»¯£¬ÒÖÖÆÍÔ×Ó sp3ÔÓ»¯¼°¹²¼Û¼üµÄÐγɣ¬´Ó¶øÊ¹ÍÄÉÃ×Ï߸üÎȶ¨¡£ÕâÖÖ¸´ºÏ½á¹¹Ò²ÓиüºÃµÄÎïÀíÐÔÄÜ£¬²¢ÔÚ΢ÄÉÃ×µç×Ó·½ÃæÓÐ×ÅÖØÒªµÄÓ¦Óᣠ|
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wdxyjh(½ð±Ò+5): 2010-12-31 14:52:10
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CNTs begin to oxidize at about 400¡æ,14-16 which restricts their technological application at high temperatures. The structure of boron-nitride nanotubes (BNNT) is very similar to that of CNTs, and they exhibit many similar physical and chemical properties.14,17,18 However, compared with CNTs, BNNTs have better mechanical properties at high temperatures, thermal stability, and oxidation resistance.19 BNNTs shells thus provide an effective barrier against oxidation. Thus, the oxidation degradation of CuNWs could be reduced by coating them with BNNTs and their long-term stability improved. BNNTs are of potential use in nanoscale electronic devices and nanostructure ceramic materials due to their stability at high temperatures and high electronic insulation in air.20¨C25 Hence, CuNW@BNNTs are also likely to have significant advantages in a range of technological applications. ̼ÄÉÃ×¹ÜÔÚ400¡æ¿ªÊ¼Ñõ»¯, ÕâÏÞÖÆÁËËüÃÇÔÚ¸ßÎÂϵļ¼ÊõÓ¦Óá£ÅðµªÄÉÃ׹ܣ¨BNNT£©½á¹¹Óë̼ÄÉÃ׹ܽá¹ûºÜÏàËÆ¡£ËûÃDZíÏÖ³öÐí¶àÀàËÆµÄÎïÀíºÍ»¯Ñ§ÐÔÖÊ¡£È»¶ø£¬Óë̼ÄÉÃ׹ܱȽϣ¬ÅðµªÄÉÃ×¹ÜÔÚ¸ßÎÂÏÂÓиüºÃµÄÁ¦Ñ§ÐÔÄÜ£¬¸üºÃµÄÈÈÎȶ¨ÐԺͿ¹Ñõ»¯ÐÔ¡£Òò¶ø£¬ÅðµªÄÉÃ׹ܿÇÌṩһ¸öÓÐЧµÄ¿¹Ñõ»¯ÆÁÕÏ¡£Òò´Ë£¬°ü¸²ÁËÅðµªÄÉÃ׹ܵÄCuNWs¿ÉÒÔ¼õÉÙÑõ»¯£¬³¤ÆÚÎȶ¨ÐԵõ½¸ÄÉÆ¡£ BNNTsÓÉÓÚ¸ßÎÂÎȶ¨ºÍ¿ÕÆøÖи߾øÔµ£¬Ê¹µÃÔÚÄÉÃ×µç×ÓÆ÷¼þºÍÄÉÃ׽ṹÌմɲÄÁÏ·½ÃæÓÐDZÔÚµÄʹÓÃǰ¾°¡£Òò´Ë£¬CuNW@ BNNTsÒ²¿ÉÄܼ¼ÊõÓ¦ÓÃÖÐÓÐ×ÅÏÔÖøµÄÓÅÊÆ¡£ |
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wdxyjh(½ð±Ò+10): 2011-01-01 00:27:31
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The similar monoatom chain-filled nanotubes have already been founded and studied for CNTs. Wang et al. calculated the buckling strain of CNTs filled with metal atoms (Ni, Cu and Pt) and found that as in the case of gases, critical strain of the filled CNT is also larger than that of the hollow CNT.26 More recently, Soldano and Mariscal studied the effect of the enclosed Fe, with structure of fcc or bcc, on mechanical properties of CNTs using a recent parameterization of the modified embedded atom model.27 It was reported that AuNWs will form helical structures when Au atoms are confined in CNTs.2,28 which is totally different from its bulk counterpart. ÒѾ·¢ÏÖºÍÑо¿ÁËÀàËÆÌî³ä̼ÄÉÃ׹ܵĵ¥Ô×ÓÁ´¡£WangµÈÈ˼ÆËãÁËÌî³äÁ˽ðÊôÔ×Ó£¨Äø£¬Í£¬²¬£©µÄ̼ÄÉÃ׹ܵÄÍäÇúÓ¦±ä£¬²¢·¢ÏÖÔÚÆøÌåÖУ¬Ìî³ä̼ÄÉÃ׹ܵÄÁÙ½çÓ¦±äÒ²±È¿ÕÐÄCNT¸ü´ó¡£×î½ü£¬SoldanoºÍMariscalʹÓÃ×î½üµÄÐ޸ĵÄǶÈëÈëÔ×ÓµÄÄ£ÐͲÎÊýÑо¿Á˰ü¸²Feºó̼ÄÉÃ׹ܵÄÁ¦Ñ§ÐÔÄÜ¡£¾Ý±¨µÀ£¬µ±AuÔ×Ó¾ÖÏÞÔÚCNTsʱ£¬AuNWs½«ÐγÉÂÝÐý½á¹¹¡£ÕâÍêÈ«ÓëËüµÄ¿éÌå²ÄÁÏÐÔÖʲ»Í¬¡£ |
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