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Chemical Functionalization And Modification Of Carbon Nanotubes Through Ion Bombardment

机译：碳纳米管的离子轰击化学功能化和改性

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Classical molecular dynamics simulations have been performed to investigate the chemical functionalization of single-walled (SWNT) and double-walled carbon nanotubes (DWNT) through CH_3~+ ion bombardment at 10, 45, and 80 eV. The simulations show that the process is highly efficient and that chemical functionalization occurs at every incident ion energy considered. However, significant differences in the response of the SWNTs and DWNTs are predicted from the simulations. At 45 and 80 eV defect formation and cross-linking between nearby nanotubes occurs. These new defect structures could substantially alter the mechanical and electrical properties of nanotubes
机译：已经进行了经典的分子动力学模拟，以研究单壁（SWNT）和双壁碳纳米管（DWNT）通过CH_3〜+离子轰击在10,45和80eV中的化学官能化。模拟表明该过程高效，并且在考虑的每个入射离子能量下发生化学官能化。然而，从模拟中预测了SWNT和DWNT的响应的显着差异。在45和80 eV中，在附近的纳米管之间形成和交联。这些新的缺陷结构可以大大改变纳米管的机械和电气性能

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