与 Co 纳米团簇相互作用的碳纳米管的结构、电子和介电特性

IF 3.1 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Carbon Trends Pub Date : 2024-10-11 DOI:10.1016/j.cartre.2024.100410
Icare Morrot-Woisard , Emile K. Nguyen , Nicolas Vukadinovic , Mauro Boero
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引用次数: 0

摘要

调整碳基材料(尤其是碳纳米管)电磁响应的一个新领域是在其外表面添加金属团簇或纳米粒子。这可以改变其光学、介电和磁学特性,并有望应用于航空电子和电信领域。通过第一原理动力学模拟,我们提供了碳纳米管与钴聚集体在有限温度下相互作用的微观图景,模拟了实验覆盖范围。电子结构演化提供了吸收光谱和介电函数,以便与实验进行比较,并为调整这些复合系统提供指导。
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Structural, electronic and dielectric properties of carbon nanotubes interacting with Co nanoclusters
A new frontier in tuning the electromagnetic response of carbon-based materials, particularly carbon nanotubes, consists in adding metallic clusters or nanoparticles at their external surface. This allows to change optical, dielectric and magnetic properties with potential applications in electronics and telecommunications for aeronautics. By resorting to first principles dynamical simulations, we provide a microscopic picture of the interaction at finite temperature between a carbon nanotube and Co aggregates mimicking the experimental coverage. The electronic structure evolution provides the absorption spectrum and the dielectric function for comparison with experiments and guidelines for tuning these composite systems.
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来源期刊
Carbon Trends
Carbon Trends Materials Science-Materials Science (miscellaneous)
CiteScore
4.60
自引率
0.00%
发文量
88
审稿时长
77 days
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