东篱科研大数据发现系统（DRDS）

位置：成果数据库 > 期刊 > 期刊详情页

Fe掺杂碳纳米管吸附Al原子的第一性原理研究

ISSN号：1004-0609
期刊名称：《中国有色金属学报》
时间：0
分类：TN4[电子电信—微电子学与固体电子学]
作者机构：[1]华北理工大学机械工程学院,唐山063009, [2]华北理工大学理学院,唐山063009
相关基金：国家自然科学基金资助项目（51172062,51472074）; 河北省引进海外高层次人才“百人计划”资助项目（E2012100005）

关键词：碳纳米管, 第一性原理, FE掺杂, Al吸附, carbon nanotube, first principles, Fe doping, Al adsorption

中文摘要：

采用第一性原理对Al原子在本征（5,5）型及Fe掺杂（5,5）型碳纳米管的吸附行为进行研究,研究掺杂Fe前后碳纳米管吸附Al的吸附能、能带结构和电荷分布情况。计算结果表明：掺杂Fe能够增强Al在（5,5）型碳纳米管表面的吸附能,提高Al与碳纳米管之间的电荷转移。这主要是因为掺杂Fe原子后,Fe原子与Al原子之间形成共价键结合,Al与碳纳米管之间由物理吸附转变为化学吸附。此类掺杂有望改善Al基碳纳米管复合材料界面的电接触性能。

英文摘要：

The first principles theory was applied to investigate the adsorption behavior of A1 on pristine and Fe-doped （5,5） CNTs. The computation results of adsorption energy, energy band structure, and charge distribution of the pristine and Fe-doped （5,5） CNTs reveal that doping Fe atoms increases adsorption energy of A1 atoms on （5,5） CNTs and enhances the charge transfer between Al atoms and CNTs. The improvement is mainly due to the formation of covalent bonds between Fe and Al atoms, leading to a chemical adsorption between Al and CNTs instead of a physical one. Fe doping could be beneficial to improving electrical contact behavior of CNT-reinforced Al matrix composites.

同期刊论文项目

碳纳米管介电电泳组装技术的研究

期刊论文 52 会议论文 11 著作 2

碳纳米管接触电阻的研究

期刊论文 11

同项目期刊论文

Advances in model development for carbon nanotube assembly by dielectrophoresis

Measurement of contact resistance of multiwall carbon nanotubes by electrical contact using a focuse

Mechanical properties and applications of carbon nanotubes

Optimal Selection of Machining Parameters by Genetic Algorithms for Face-Milling Operations based on

Multi-objectiveoptimization for milling operations using genetic algorithms under variousconstraints

Electrospinning preparationof H4SiW12O40/polycaprolactam compositenanofibrous membrane and its great

Highly efficient chromium(VI) adsorption with nanofibrous filter paper prepared through electrospinn

碳纳米管介电电泳组装数学模型及影响参数-技术综述

通电降低碳纳米管接触电阻的正交试验研究

粒子受介电泳力作用运动的仿真研究

Simulation of electric field for carbon nanotube assembly by dielectrophoresis

碳纳米管介电电泳组装及过程控制研究进展

壳聚糖/聚甲基丙烯酸甲酯电纺复合纤维膜的制备及吸附性能

Influencing factors and techniques of carbon nanotube sssembly by dielectrophoresis

Electron beam irradiation on substrate for precise dielectrophoretic assembly of carbon nanotubes -

Recent simulation study on precise positioning of carbon nanotubes by dielectrophoresis

磷钼酸-PMMA复合纤维膜的制备及光催化性能研究

Dielectrophoretic assembly of carbon nanotubes and stability analysis

Recent development of parameter optimization for metal cutting and grinding processes

磷钼酸/聚苯乙烯/聚乙烯醇电纺纤维膜的制备及性能研究

On contact resistance of carbon nanotubes

磷钼酸-PMMA静电纺丝纤维的制备及形貌研究

Application of CBN cutting tools in hard turning and tool wear

碳纳米管受介电泳作用三维运动仿真研究

基于介电泳微流控技术的碳纳米管分离

碳纳米管在典型微纳电子器件中的应用进展

碳纳米管介电电泳组装数学模型及影响参数

磷钼酸/聚苯乙烯/聚乙烯醇电纺纤维膜的制备及性能

Electrospinningpreparation, characterization, and enhanced photocatalytic activity of anSilicotungst

磷钼酸/聚乙烯醇复合纤维膜光降解甲基橙

静电纺丝法制备磷钼酸/PMMA复合纳米纤维

介电泳微流控制分离不同尺寸碳纳米管的研究

Recent progress on controlled dielectrophoretic assembly of carbon nanotubes

Recent progress on research of contact resistance of carbon nanotubes

磷钼酸/聚甲基丙烯酸甲酯复合纤维膜的制备及光催化性能

H4SiW12O40/polymethylmethacrylate/polyvinylalcohol sandwich nanofibrous membrane with enhanced photo

Advances in numerical and experimental study of dielectrophoretic assembly of carbon nanotubes

Preparation of chitosan/polycaprolactam nanofibrous filter paper and itsgreatly enhanced chromium(VI

Progress towards the automatic assembly of carbon nanotubes by dielectrophoresis

碳纳米管组装技术研究进展

高温退火降低碳纳米管接触电阻的实验研究

不同交联方式对溶剂型丙烯酸酯压敏胶性能的影响

CBN刀具干式硬车切削力有限元仿真

基于矩阵分析法的CBN刀具干式硬车参数优化研究

碳纳米管接触电阻的研究进展

热压处理提升聚乙烯醇纳米纤维膜水稳定性的研究

改善碳纳米管电接触性能的研究进展

磷钼酸/PMMA静电纺丝纤维的制备及形貌研究

B（N）掺杂碳纳米管吸附Cu原子的第一性原理研究