Stability of interface between MgO and carbon nanotubes
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摘要: 采用共沉积法制备氧化镁纳米颗粒包覆碳纳米管，并利用高功率超声波、长时间对氧化镁包覆碳纳米管样品进行超声处理以验证其结构稳定性。借助红外光谱仪、扫描电子显微镜和透射电子显微镜表征氧化镁包覆碳纳米管的微观结构。实验结果显示：高功率超声波和长时间超声震荡可将包覆氧化镁碳纳米管切断，但氧化镁纳米颗粒依然紧紧地吸附在碳纳米管管壁上，表明氧化镁纳米颗粒与碳纳米管形成了良好的界面结合，包覆MgO碳纳米管界面结构具有较高的稳定性，是一种较好的新型增强体。同时，采用第一性原理计算阐述了氧化镁与碳纳米管形成良好界面结合机理。Abstract: In this work, MgO-coated carbon nanotubes (MgO@CNTs) were synthesized via the co-deposition technique. The samples of MgO@CNTs were treated by using the high power ultrasonic vibration with a long time to verify their structural stability. Microstructure of the CNTs and MgO@CNTs was characterized by using the FI-IT spectra analysis, scanning electron microscope and transmission electron microscope. The experiment result reveals that the high power ultrasonic vibration and the long-time ultrasonic-treatment can easily cut off the CNTs, while the MgO nanoparticles are still tightly adsorbed on the surface of CNTs without removing away from the surface of CNTs by the ultrasonic vibration. It means that MgO@CNTs is a novel reinforcement for the Mg-based composite because the MgO nanoparticles and CNTs have formed a good interface bonding with high stability. Simultaneously, the stable interfacial bonding between MgO and CNTs is explained by the first- principle calculation.
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Key words:
- MgO /
- carbon nanotubes /
- interfacial bonding
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图 1 碳纳米管包覆MgO示意图
Figure 1. Schematic illustration of synthesis of CNTs coated with MgO
图 2 O终端（OTH/OB）和Mg终端（MTH/MB）MgO（
$1\overline 11 $ ）/石墨烯界面结构模型Figure 2. MgO（
$1\overline 11 $ ）/graphene interface models of O（OTH and OB）and Mg（MTH and MB）terminations
图 3 原始CNTs，o-CNTs和MgO@CNTs红外光谱
Figure 3. FT-IR patterns of pristine CNTs，o-CNTs and MgO@CNTs.
图 4 纯化前后CNTs微观形貌 （a）原始CNTs SEM形貌；（b）o-CNTs SEM形貌；（c）o-CNTs TEM形貌；（d）o-CNTs HRTEM形貌
Figure 4. Microstructure of CNTs before and after purification （a）SEM image of pristine CNTs；（b）SEM image of o-CNTs；（c）TEM image of o-CNTs；（d）HRTEM image of o-CNTs
图 5 MgO@CNTs微观形貌 （a）SEM；（b）EDS能谱；（c）TEM；（d）HRTEM
Figure 5. Microstructure of MgO@CNTs （a）SEM；（b）EDS；（c）TEM；（d）HRTEM
图 6 200 W功率下不同时长超声后MgO@CNTs TEM和HRTEM形貌
Figure 6. TEM and HRTEM images of MgO@CNTs treated by ultrasonic vibration with various time under the powder of 200 W （a），（b）2 h；（c），（d）6 h；（e），（f）12 h
图 7 不同功率超声处理2 h后MgO@CNTs TEM和HRTEM形貌
Figure 7. TEM and HRTEM images of MgO@CNTs treated by ultrasonic vibration with powder of different power （a），（b），（c）500 W；（d），（e），（f）1000 W
图 8 MgO/CNT界面结构 （a）TEM形貌；（b）HRTEM形貌
Figure 8. Structure of MgO/CNT interface： （a）TEM，（b）HRTEM
图 9 几何弛豫后O终端（OTH/OB）和Mg终端（MTH/MB）MgO（
$1\overline 11 $ ）/石墨烯界面结构模型Figure 9. MgO（
$1\overline 11 $ ）/graphene interface models of O（OTH and OB）and Mg（MTH and MB）terminations after geometric relaxation表 1 四种界面结构的界面间距和界面分离功的理论计算值
Table 1. Calculated d0 and Wsep values of the four interface models
Interface model Atomic arrangement d0/nm Wsep/（J•m2） OTH Top and hollow site 0.274 4.264 OB Bridge site 0.222 0.621 MTH Top and hollow site 0.243 −0.286 MB Bridge site 0.365 −0.286 
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